data_1awo_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 1awo _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 65' ' ' LEU . . . . . 0.424 HD23 ' N ' ' A' ' 65' ' ' LEU . 1.8 mm? . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.33 -0.618 . . . . 1.0 109.33 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' A' ' 66' ' ' PHE . 0.3 OUTLIER -115.9 153.75 30.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 1.0 110.973 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.475 ' O ' ' CG2' ' A' ' 116' ' ' ILE . 0.0 OUTLIER -118.35 162.51 16.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 1.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.471 ' CB ' ' HB3' ' A' ' 88' ' ' LEU . . . -68.98 132.16 46.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 1.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.484 ' HB2' ' CG2' ' A' ' 117' ' ' THR . 10.4 tp -113.13 -79.3 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 1.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.43 ' N ' ' HG ' ' A' ' 69' ' ' LEU . 10.9 m-85 -79.93 163.85 23.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 1.0 110.99 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -87.58 176.73 7.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 1.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.576 ' CE1' HG22 ' A' ' 79' ' ' THR . 6.6 t80 -136.46 167.28 21.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 1.0 110.974 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.418 ' N ' ' CD1' ' A' ' 72' ' ' PHE . 88.6 t -127.21 143.22 41.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 1.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.421 ' N ' ' HG ' ' A' ' 81' ' ' SER . . . -53.54 158.55 1.76 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.54 1.15 . . . . 1.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.9 t -149.1 -57.95 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 1.0 110.015 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -164.35 -155.26 8.26 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.505 1.128 . . . . 1.0 110.978 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.4 ' O ' ' CG ' ' A' ' 78' ' ' ASN . 4.9 t70 -93.6 60.07 2.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 0.793 . . . . 1.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.4 ' CG ' ' O ' ' A' ' 77' ' ' ASP . 15.7 m-80 -163.47 -43.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 1.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.576 HG22 ' CE1' ' A' ' 72' ' ' PHE . 0.3 OUTLIER -69.63 173.88 5.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 1.0 110.374 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.494 ' CD2' ' CG2' ' A' ' 104' ' ' THR . 1.6 tt -133.96 117.54 16.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 1.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.421 ' HG ' ' N ' ' A' ' 74' ' ' ALA . 67.1 m -93.63 111.93 23.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 1.0 109.974 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.46 HG12 ' CD1' ' A' ' 88' ' ' LEU . 0.2 OUTLIER -130.62 -177.72 2.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.12 . . . . 1.0 109.358 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.0 m -106.58 170.13 8.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 1.0 110.378 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -72.55 161.58 30.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 1.0 109.24 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 37.66 30.12 0.06 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 1.0 110.982 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 84' ' ' LYS . 1.5 tt0 -83.17 160.64 21.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 0.755 . . . . 1.0 110.293 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.0 84.42 6.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 1.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.49 ' CD2' ' C ' ' A' ' 88' ' ' LEU . 0.6 OUTLIER -140.52 113.82 8.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 1.0 109.296 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 24.3 ttt-85 -118.07 146.29 44.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 1.0 110.303 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 89.3 t -70.64 134.77 29.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 1.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.7 mt -107.26 -40.3 5.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 1.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -138.14 166.79 25.12 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.519 1.137 . . . . 1.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -120.28 174.94 6.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.766 . . . . 1.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -92.56 21.86 5.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 1.0 109.256 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 69.26 36.73 2.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 1.0 109.597 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -176.99 -175.38 0.59 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 1.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -106.26 54.7 0.57 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.486 1.116 . . . . 1.0 110.965 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -120.31 -66.9 1.02 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 0.806 . . . . 1.0 110.315 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.558 ' CZ2' ' HB3' ' A' ' 112' ' ' PRO . 19.8 m95 -135.3 156.27 49.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 1.0 108.006 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 4.4 m -136.04 140.99 44.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 1.0 108.286 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.19 134.87 35.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 1.0 110.332 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.467 ' HB1' ' CG2' ' A' ' 111' ' ' VAL . . . -134.3 163.11 30.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 1.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -115.87 161.69 18.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 1.0 110.28 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.494 ' CG2' ' CD2' ' A' ' 80' ' ' LEU . 4.2 p -135.46 145.97 47.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 1.0 110.395 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.56 -21.87 29.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 1.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -86.77 -40.11 15.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 1.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 104' ' ' THR . . . -171.64 -131.3 1.33 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.481 1.113 . . . . 1.0 110.962 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -148.71 178.69 8.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 0.783 . . . . 1.0 110.346 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.421 ' N ' ' CD1' ' A' ' 80' ' ' LEU . . . 158.1 -177.48 34.8 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.554 1.159 . . . . 1.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 26.6 m95 -88.46 155.33 19.73 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.985 -1.117 . . . . 1.0 107.985 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.572 ' CG2' ' CD1' ' A' ' 116' ' ' ILE . 1.0 OUTLIER -147.39 123.5 5.46 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 1.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.565 ' HG2' ' CD1' ' A' ' 115' ' ' TYR . 18.3 Cg_endo -75.04 145.52 31.41 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.451 1.764 . . . . 1.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.425 ' O ' ' O ' ' A' ' 116' ' ' ILE . 0.3 OUTLIER -68.88 -19.22 64.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 1.0 109.994 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.37 -11.33 60.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 1.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.565 ' CD1' ' HG2' ' A' ' 112' ' ' PRO . 5.4 m-85 -105.63 -10.11 16.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 1.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.572 ' CD1' ' CG2' ' A' ' 111' ' ' VAL . 3.6 mt -127.82 143.17 41.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 1.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.484 ' CG2' ' HB2' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -123.28 160.11 51.63 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 1.0 110.373 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 168.82 23.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.505 1.792 . . . . 1.0 111.025 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 95.8 t -83.58 4.74 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 1.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 9.3 t . . . . . 0 C--O 1.249 1.069 0 CA-C-O 116.975 -1.488 . . . . 1.0 110.02 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.418 ' N ' HD21 ' A' ' 65' ' ' LEU . 4.2 mm? . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.301 -0.629 . . . . 1.0 109.301 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.413 ' CD1' ' N ' ' A' ' 66' ' ' PHE . 0.1 OUTLIER -119.88 151.35 39.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 1.0 111.044 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 117' ' ' THR . 0.2 OUTLIER -111.39 -175.97 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 1.0 109.292 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 88' ' ' LEU . . . -68.14 133.35 48.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 1.0 109.34 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.465 ' HB2' ' CG2' ' A' ' 117' ' ' THR . 14.9 tp -101.62 -81.66 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 1.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.437 ' N ' ' HG ' ' A' ' 69' ' ' LEU . 9.2 m-85 -99.26 163.95 12.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 1.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.4 168.02 20.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.16 . . . . 1.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.618 ' CE2' ' O ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -104.78 153.17 21.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 1.0 110.984 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.426 HG11 ' N ' ' A' ' 74' ' ' ALA . 84.1 t -119.1 139.98 44.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 1.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.426 ' N ' HG11 ' A' ' 73' ' ' VAL . . . -45.58 147.71 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 1.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.473 ' CB ' HG23 ' A' ' 79' ' ' THR . 0.3 OUTLIER -149.0 170.02 19.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 1.0 109.965 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 77' ' ' ASP . . . -96.17 -82.9 1.64 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.545 1.153 . . . . 1.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 78' ' ' ASN . 10.3 p-10 -46.04 170.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 0.765 . . . . 1.0 109.318 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 77' ' ' ASP . 7.8 m-80 -39.3 110.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 1.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.521 ' CG2' ' N ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -142.54 174.02 11.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 1.0 110.395 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.618 ' O ' ' CE2' ' A' ' 72' ' ' PHE . 1.0 OUTLIER -132.12 117.35 18.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 1.0 109.31 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.1 m -97.68 109.37 22.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 1.0 110.028 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.509 ' CG1' HD21 ' A' ' 80' ' ' LEU . 1.2 mt -136.44 175.02 11.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 1.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.2 m -123.61 157.93 32.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 1.0 110.376 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.491 ' HG2' ' N ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -68.39 -177.36 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 1.0 109.324 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.491 ' N ' ' HG2' ' A' ' 84' ' ' LYS . . . 34.93 44.01 0.46 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.499 1.124 . . . . 1.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.44 ' OE2' ' NZ ' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -136.46 175.07 9.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 0.738 . . . . 1.0 110.318 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -69.29 70.3 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 1.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.569 ' CD2' ' C ' ' A' ' 88' ' ' LEU . 0.2 OUTLIER -128.36 102.09 6.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 1.0 109.242 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 14.5 mtt-85 -136.59 141.36 43.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 1.0 110.288 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.489 ' CG2' HD11 ' A' ' 116' ' ' ILE . 7.3 t -68.09 114.91 5.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 1.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.4 mt -115.72 4.48 14.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 1.0 109.259 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -148.44 155.88 26.61 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.557 1.16 . . . . 1.0 111.016 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -134.53 156.55 48.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 1.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.621 ' ND2' ' CZ3' ' A' ' 110' ' ' TRP . 0.6 OUTLIER -69.63 -74.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 1.0 109.264 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.524 ' CG ' ' O ' ' A' ' 94' ' ' ASN . 1.0 OUTLIER 165.69 -67.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 1.0 109.635 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.463 ' H ' ' ND2' ' A' ' 96' ' ' ASN . 1.6 p30 -65.81 -52.36 51.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 1.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 134.26 61.01 0.07 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.447 1.092 . . . . 1.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -117.35 -61.01 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 1.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.587 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 9.1 m95 -131.6 172.8 11.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 1.0 107.998 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 82.2 m -135.71 140.03 44.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 1.0 108.301 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -76.42 133.83 39.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 1.0 110.263 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.456 ' HB1' ' CG1' ' A' ' 111' ' ' VAL . . . -120.43 162.97 18.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.157 . . . . 1.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.441 ' CG ' ' HG3' ' A' ' 108' ' ' GLN . 1.8 mt-30 -134.45 143.1 47.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.08 . . . . 1.0 110.312 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.538 ' HG1' ' N ' ' A' ' 107' ' ' GLY . 0.7 OUTLIER -104.71 156.88 17.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 1.0 110.398 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.44 ' NZ ' ' OE2' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -37.97 -45.62 0.9 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 1.0 109.292 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -141.96 65.84 1.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 1.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.538 ' N ' ' HG1' ' A' ' 104' ' ' THR . . . 167.13 -172.33 42.15 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.494 1.121 . . . . 1.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.441 ' HG3' ' CG ' ' A' ' 103' ' ' GLN . 0.8 OUTLIER -151.96 -176.44 5.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 0.767 . . . . 1.0 110.323 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.501 ' CA ' HD13 ' A' ' 80' ' ' LEU . . . 160.01 179.91 35.11 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 1.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.621 ' CZ3' ' ND2' ' A' ' 94' ' ' ASN . 12.4 m95 -104.38 151.01 24.0 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.021 -1.103 . . . . 1.0 108.021 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.474 ' CG1' ' C ' ' A' ' 110' ' ' TRP . 0.9 OUTLIER -152.88 145.65 17.4 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 1.0 109.297 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.587 ' HD3' ' CZ3' ' A' ' 99' ' ' TRP . 18.2 Cg_endo -75.01 161.49 38.67 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.529 1.805 . . . . 1.0 110.987 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.455 ' HA ' ' CD1' ' A' ' 116' ' ' ILE . 0.1 OUTLIER -75.33 -29.65 60.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 1.0 110.018 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -80.29 4.3 18.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 1.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.587 ' CD1' ' HG2' ' A' ' 112' ' ' PRO . 0.0 OUTLIER -96.71 -12.48 23.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 1.0 111.014 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.489 HD11 ' CG2' ' A' ' 90' ' ' VAL . 0.1 OUTLIER -121.83 171.52 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 1.0 109.312 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.465 ' CG2' ' HB2' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -134.34 148.54 68.1 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 1.0 110.386 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 167.16 27.67 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.479 1.778 . . . . 1.0 111.026 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 79.3 t -97.89 4.55 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 1.0 109.334 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 117.014 -1.47 . . . . 1.0 109.982 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.461 ' O ' ' CG2' ' A' ' 119' ' ' VAL . 3.0 mm? . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.314 -0.625 . . . . 1.0 109.314 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.57 ' CD2' ' HB3' ' A' ' 118' ' ' PRO . 3.2 m-85 -116.31 160.94 19.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 1.0 110.955 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -129.67 141.88 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 1.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.468 ' CB ' ' HB3' ' A' ' 88' ' ' LEU . . . -69.76 134.2 48.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 1.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.489 HD13 ' CG2' ' A' ' 117' ' ' THR . 0.8 OUTLIER -90.44 -57.11 2.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 1.0 109.252 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -103.76 166.74 10.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 1.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -78.3 -173.99 3.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 1.0 109.284 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.575 ' CE1' ' HA ' ' A' ' 81' ' ' SER . 0.0 OUTLIER -102.53 158.0 16.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 1.0 111.013 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 75' ' ' SER . 53.4 t -135.35 110.43 11.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.493 1.121 . . . . 1.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -48.07 94.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 1.0 109.325 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 73' ' ' VAL . 0.2 OUTLIER -150.5 103.82 3.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 1.0 110.011 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 128.66 173.94 13.58 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.493 1.121 . . . . 1.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -112.8 52.01 0.8 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 1.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 168.01 41.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 1.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.49 ' CG2' ' N ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -104.55 176.84 5.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 1.0 110.377 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.49 ' N ' ' CG2' ' A' ' 79' ' ' THR . 3.7 tt -135.85 119.94 17.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 1.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.575 ' HA ' ' CE1' ' A' ' 72' ' ' PHE . 20.1 m -71.88 110.52 6.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 1.0 109.999 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.95 157.69 42.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 1.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -113.05 148.6 34.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 1.0 110.455 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -58.07 -175.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 1.0 109.292 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 84' ' ' LYS . . . 34.09 38.73 0.11 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 1.0 111.037 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.401 ' HG2' ' NZ ' ' A' ' 105' ' ' LYS . 2.6 tt0 -126.25 174.1 8.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 1.0 110.249 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.402 ' HE2' ' NH2' ' A' ' 89' ' ' ARG . 0.1 OUTLIER -69.11 80.83 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 1.0 109.328 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.468 ' HB3' ' CB ' ' A' ' 68' ' ' ALA . 2.7 tt -129.26 102.5 6.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 1.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.402 ' NH2' ' HE2' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -135.08 142.05 46.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 1.0 110.336 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.488 ' HB ' ' CD1' ' A' ' 66' ' ' PHE . 69.9 t -69.56 142.77 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 1.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.5 mt -110.9 -45.99 3.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 1.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -148.2 163.68 28.93 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.537 1.148 . . . . 1.0 110.946 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.463 ' N ' ' CD1' ' A' ' 93' ' ' TYR . 0.2 OUTLIER -119.0 146.78 44.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 0.775 . . . . 1.0 110.988 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 95' ' ' HIS . 0.5 OUTLIER -71.05 171.68 10.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 1.0 109.287 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.454 ' N ' ' OD1' ' A' ' 94' ' ' ASN . 17.8 m170 -38.35 -80.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 1.0 109.646 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.449 ' ND2' ' OE2' ' A' ' 98' ' ' GLU . 3.5 p-10 -69.92 178.39 2.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 1.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -102.09 68.62 0.38 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.115 . . . . 1.0 111.016 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.449 ' OE2' ' ND2' ' A' ' 96' ' ' ASN . 23.3 mt-10 -119.92 -59.35 1.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 0.801 . . . . 1.0 110.267 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.451 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 19.4 m95 -128.26 157.56 40.57 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.018 -1.104 . . . . 1.0 108.018 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 25.4 m -135.45 143.36 45.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 1.0 108.316 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -79.87 131.3 35.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 1.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.465 ' HB1' ' CG1' ' A' ' 111' ' ' VAL . . . -119.46 160.59 22.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 1.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -117.85 138.48 52.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 1.0 110.25 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 105' ' ' LYS . 23.4 m -104.52 150.84 24.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 1.0 110.417 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 104' ' ' THR . 0.0 OUTLIER -39.05 -44.85 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 1.0 109.296 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -142.1 62.24 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 1.0 109.245 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 164.25 174.49 34.09 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.46 1.1 . . . . 1.0 110.975 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.466 ' C ' ' CD1' ' A' ' 80' ' ' LEU . 2.6 mt-30 -151.52 149.49 29.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.761 . . . . 1.0 110.315 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -171.58 -169.56 34.59 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.499 1.124 . . . . 1.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 41.8 m95 -91.12 153.65 19.92 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.995 -1.113 . . . . 1.0 107.995 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.465 ' CG1' ' HB1' ' A' ' 102' ' ' ALA . 2.1 p -153.46 122.31 3.16 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 1.0 109.339 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.451 ' HD3' ' CZ3' ' A' ' 99' ' ' TRP . 18.4 Cg_endo -74.97 143.3 29.01 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.476 1.777 . . . . 1.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.45 ' O ' ' O ' ' A' ' 116' ' ' ILE . 0.4 OUTLIER -70.67 -25.03 62.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 1.0 110.037 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.42 ' ND2' ' HB2' ' A' ' 112' ' ' PRO . 2.6 p30 -69.56 -9.13 52.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 1.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -112.62 -18.57 12.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 1.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.45 ' O ' ' O ' ' A' ' 113' ' ' SER . 3.8 mm -124.46 137.36 57.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 1.0 109.344 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.489 ' CG2' HD13 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -120.34 159.79 46.28 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 1.0 110.378 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.57 ' HB3' ' CD2' ' A' ' 66' ' ' PHE . 18.3 Cg_endo -75.01 178.83 6.75 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.474 1.776 . . . . 1.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.461 ' CG2' ' O ' ' A' ' 65' ' ' LEU . 82.8 t -102.75 4.58 10.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 1.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 C--O 1.25 1.092 0 CA-C-O 116.992 -1.48 . . . . 1.0 110.019 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.486 ' O ' ' CG2' ' A' ' 119' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.324 -0.621 . . . . 1.0 109.324 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.4 ' HB3' ' O ' ' A' ' 117' ' ' THR . 7.2 m-85 -123.65 161.34 25.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 1.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.438 ' O ' ' CG2' ' A' ' 116' ' ' ILE . 0.0 OUTLIER -120.59 162.8 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 1.0 109.312 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.404 ' CB ' ' HB3' ' A' ' 88' ' ' LEU . . . -69.68 131.76 45.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 1.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.518 ' HG ' ' CG2' ' A' ' 117' ' ' THR . 0.4 OUTLIER -83.35 -76.41 0.28 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 1.0 109.277 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.495 ' CD2' HD21 ' A' ' 69' ' ' LEU . 60.5 m-85 -111.01 172.89 6.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 1.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.3 p30 -85.32 177.39 7.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 1.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.584 ' CZ ' ' CG2' ' A' ' 79' ' ' THR . 26.6 t80 -105.97 159.13 16.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 1.0 111.034 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.53 ' CG1' ' N ' ' A' ' 74' ' ' ALA . 1.5 p -105.25 -151.91 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 1.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.53 ' N ' ' CG1' ' A' ' 73' ' ' VAL . . . -44.82 164.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 1.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 79.7 p -101.39 179.93 4.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 1.0 109.996 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 151.25 129.37 1.56 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.497 1.123 . . . . 1.0 110.97 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.4 t0 66.78 -165.28 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.767 . . . . 1.0 109.25 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -71.44 72.36 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 1.0 109.324 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.584 ' CG2' ' CZ ' ' A' ' 72' ' ' PHE . 0.4 OUTLIER -126.63 167.23 15.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 1.0 110.37 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.569 ' CD2' ' CD1' ' A' ' 82' ' ' ILE . 1.6 tt -136.33 119.3 16.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 1.0 109.337 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.464 ' HA ' ' CD2' ' A' ' 72' ' ' PHE . 36.8 m -87.07 115.26 24.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 1.0 110.048 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.569 ' CD1' ' CD2' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -113.4 169.83 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 1.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.5 m -114.03 156.48 24.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 1.0 110.39 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.493 ' O ' ' C ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -57.96 178.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 1.0 109.287 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.493 ' C ' ' O ' ' A' ' 84' ' ' LYS . . . 30.18 51.31 0.18 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.111 . . . . 1.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -120.84 161.76 20.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 0.759 . . . . 1.0 110.29 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.61 86.81 7.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 1.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.532 ' CD2' ' C ' ' A' ' 88' ' ' LEU . 1.9 tt -131.58 116.6 17.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 1.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.463 ' HD3' ' CD2' ' A' ' 65' ' ' LEU . 50.3 mtt-85 -131.71 152.57 50.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 1.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 41.7 t -75.02 146.28 9.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 1.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.1 mt -114.08 -46.51 3.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 1.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -148.36 158.05 27.54 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.484 1.115 . . . . 1.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -111.66 168.5 9.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 0.8 . . . . 1.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.595 ' O ' ' CB ' ' A' ' 95' ' ' HIS . 0.7 OUTLIER -97.98 -47.16 5.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 1.0 109.292 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.6 ' CG ' ' N ' ' A' ' 96' ' ' ASN . 2.9 t-80 154.13 170.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 1.0 109.604 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.6 ' N ' ' CG ' ' A' ' 95' ' ' HIS . 46.7 t30 41.12 28.92 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 1.0 109.32 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.439 ' N ' ' C ' ' A' ' 95' ' ' HIS . . . 36.11 59.64 0.93 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.521 1.138 . . . . 1.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -102.66 -63.16 1.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 0.787 . . . . 1.0 110.334 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.526 ' CE2' ' HB3' ' A' ' 112' ' ' PRO . 21.3 m95 -133.1 149.72 52.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 1.0 107.977 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 4.0 m -135.93 139.34 43.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 1.0 108.286 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -81.87 135.03 35.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 1.0 110.338 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -133.73 162.13 32.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 1.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.452 ' CB ' ' HG3' ' A' ' 108' ' ' GLN . 20.8 tt0 -116.86 140.35 49.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 1.0 110.298 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.464 ' CG2' HD13 ' A' ' 82' ' ' ILE . 31.0 p -114.31 152.58 31.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 1.0 110.427 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -18.02 36.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 1.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -88.05 -39.42 14.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 1.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -173.14 -137.17 2.32 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.528 1.142 . . . . 1.0 111.056 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.5 ' C ' ' CD1' ' A' ' 80' ' ' LEU . 1.0 OUTLIER -151.69 148.34 27.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 0.763 . . . . 1.0 110.286 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.465 ' N ' HD11 ' A' ' 80' ' ' LEU . . . -169.72 -167.47 30.29 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.524 1.14 . . . . 1.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -93.81 157.58 16.07 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.972 -1.122 . . . . 1.0 107.972 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.406 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 7.2 p -154.88 131.71 6.0 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 1.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.526 ' HB3' ' CE2' ' A' ' 99' ' ' TRP . 18.5 Cg_endo -74.93 144.6 30.7 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.455 1.766 . . . . 1.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.3 t -73.17 -25.99 61.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 1.0 109.998 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.528 ' ND2' ' H ' ' A' ' 114' ' ' ASN . 0.5 OUTLIER -69.36 -8.64 48.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 1.0 109.266 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.404 ' CD2' ' HG2' ' A' ' 112' ' ' PRO . 2.1 m-85 -114.55 2.82 14.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 1.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.442 HG21 ' N ' ' A' ' 117' ' ' THR . 9.5 mt -118.71 155.99 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 1.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.518 ' CG2' ' HG ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -125.16 155.21 71.42 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 1.0 110.405 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 171.13 18.92 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.467 1.772 . . . . 1.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.486 ' CG2' ' O ' ' A' ' 65' ' ' LEU . 45.2 t -98.67 4.2 10.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 1.0 109.293 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.0 t . . . . . 0 C--O 1.25 1.121 0 CA-C-O 116.996 -1.478 . . . . 1.0 110.018 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.329 -0.619 . . . . 1.0 109.329 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.48 ' CD1' ' N ' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -117.81 147.6 42.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 1.0 110.981 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -122.38 148.28 26.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 1.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.468 ' CB ' HD21 ' A' ' 88' ' ' LEU . . . -78.12 97.36 5.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 1.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.488 ' HB2' ' CG2' ' A' ' 117' ' ' THR . 3.0 mp -84.73 -26.32 27.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 1.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -93.84 153.79 18.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 1.0 111.007 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.72 162.17 13.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 1.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.57 ' CE1' HG22 ' A' ' 79' ' ' THR . 1.4 t80 -121.63 151.81 40.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 1.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 6.0 p -121.19 127.98 75.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 1.0 109.349 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.25 100.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 1.0 109.264 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 39.2 t -150.1 97.77 2.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 1.0 109.987 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 99.29 163.22 29.53 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.486 1.116 . . . . 1.0 111.028 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.452 ' O ' ' CB ' ' A' ' 78' ' ' ASN . 0.9 OUTLIER -89.18 157.13 18.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 0.778 . . . . 1.0 109.317 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.452 ' CB ' ' O ' ' A' ' 77' ' ' ASP . 3.1 m120 79.12 -0.47 2.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 1.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.57 HG22 ' CE1' ' A' ' 72' ' ' PHE . 0.3 OUTLIER -86.35 172.48 10.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 1.0 110.444 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.551 ' O ' ' CG ' ' A' ' 72' ' ' PHE . 1.4 tt -133.43 117.64 17.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 1.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.4 m -98.43 109.98 22.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 1.0 110.022 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.469 ' CD1' ' HB2' ' A' ' 72' ' ' PHE . 0.3 OUTLIER -136.57 179.53 3.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 1.0 109.274 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.4 m -112.99 151.82 30.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 1.0 110.367 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.46 ' O ' ' C ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -61.73 179.67 0.24 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 1.0 109.285 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 84' ' ' LYS . . . 33.3 41.16 0.13 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 1.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -118.51 158.31 25.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 0.737 . . . . 1.0 110.323 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.81 90.07 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 1.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.563 ' CD2' ' C ' ' A' ' 88' ' ' LEU . 1.3 tt -148.71 126.29 11.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 1.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 67.8 mtm180 -135.83 155.41 50.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 1.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.473 ' CG1' ' HB3' ' A' ' 100' ' ' CYS . 2.7 t -68.44 140.9 18.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 1.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.409 HD12 ' NE2' ' A' ' 103' ' ' GLN . 1.5 mt -109.91 -40.96 4.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 1.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.36 175.29 25.0 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.515 1.134 . . . . 1.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.631 ' N ' ' CD1' ' A' ' 93' ' ' TYR . 0.2 OUTLIER -135.18 169.19 17.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 0.771 . . . . 1.0 110.996 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.512 ' OD1' ' O ' ' A' ' 99' ' ' TRP . 0.8 OUTLIER -91.73 62.27 4.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 1.0 109.306 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.427 ' C ' ' O ' ' A' ' 94' ' ' ASN . 10.9 p80 37.51 41.4 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 1.0 109.573 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 177.65 169.15 0.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 1.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -93.59 40.42 2.79 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 1.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.6 -58.74 2.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 0.764 . . . . 1.0 110.317 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.57 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 13.9 m95 -133.67 163.21 29.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 1.0 107.986 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.473 ' HB3' ' CG1' ' A' ' 90' ' ' VAL . 11.8 m -136.14 130.02 32.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 1.0 108.29 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -74.68 123.94 25.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 1.0 110.316 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.406 ' C ' ' OE1' ' A' ' 103' ' ' GLN . . . -112.67 157.9 20.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 1.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.43 ' HG3' ' CG ' ' A' ' 108' ' ' GLN . 9.9 mp0 -135.08 138.32 43.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 1.0 110.298 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.28 162.93 12.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 1.0 110.416 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -43.89 -62.56 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 1.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 16.0 m-20 -121.03 50.96 1.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 1.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -174.52 162.44 32.62 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.47 1.106 . . . . 1.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.43 ' CG ' ' HG3' ' A' ' 103' ' ' GLN . 0.3 OUTLIER -150.45 151.53 32.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 0.759 . . . . 1.0 110.231 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -179.21 173.59 45.64 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.494 1.121 . . . . 1.0 110.973 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.472 ' C ' ' CG1' ' A' ' 111' ' ' VAL . 5.6 m95 -95.53 152.38 18.48 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.045 -1.094 . . . . 1.0 108.045 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.475 HG21 ' CD1' ' A' ' 116' ' ' ILE . 0.8 OUTLIER -152.46 145.66 17.63 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 1.0 109.254 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.57 ' HD3' ' CZ3' ' A' ' 99' ' ' TRP . 18.4 Cg_endo -74.97 144.92 30.94 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 1.0 111.033 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.416 ' O ' ' O ' ' A' ' 116' ' ' ILE . 0.0 OUTLIER -59.33 -15.59 17.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 1.0 109.993 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.05 -30.56 66.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 1.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.566 ' CD1' ' HG2' ' A' ' 112' ' ' PRO . 3.0 m-85 -76.51 -19.03 58.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 1.0 111.038 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.475 ' CD1' HG21 ' A' ' 111' ' ' VAL . 0.0 OUTLIER -116.77 118.6 59.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 1.0 109.308 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.488 ' CG2' ' HB2' ' A' ' 69' ' ' LEU . 0.5 OUTLIER -114.78 150.19 43.62 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 1.0 110.438 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 165.49 31.23 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.539 1.81 . . . . 1.0 111.027 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 59.6 t -91.73 4.76 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 1.0 109.267 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 9.3 m . . . . . 0 C--O 1.25 1.104 0 CA-C-O 116.998 -1.477 . . . . 1.0 109.984 179.961 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.418 ' N ' HD21 ' A' ' 65' ' ' LEU . 3.7 mm? . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.328 -0.619 . . . . 1.0 109.328 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.504 ' N ' ' CD1' ' A' ' 66' ' ' PHE . 3.5 m-85 -117.87 167.21 11.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 1.0 110.979 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -127.75 147.62 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 1.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.404 ' CB ' ' HB3' ' A' ' 88' ' ' LEU . . . -70.34 112.28 6.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 1.0 109.333 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.479 ' HB2' ' CG2' ' A' ' 117' ' ' THR . 12.4 tp -90.74 -80.8 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 1.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.437 ' N ' ' HG ' ' A' ' 69' ' ' LEU . 12.9 m-85 -72.84 162.21 29.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 1.0 111.045 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.417 ' O ' ' CE1' ' A' ' 115' ' ' TYR . 2.8 p-10 -90.77 172.21 8.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 1.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.577 ' CE1' HG22 ' A' ' 79' ' ' THR . 14.7 t80 -129.1 157.36 41.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 1.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.509 ' N ' ' CD1' ' A' ' 72' ' ' PHE . 67.5 t -129.74 140.4 49.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 1.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.48 142.41 57.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 1.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.6 p -149.73 -67.41 0.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.113 . . . . 1.0 110.008 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -96.67 -179.98 34.63 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.479 1.112 . . . . 1.0 110.973 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -66.61 -61.38 2.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 0.759 . . . . 1.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -81.4 89.56 6.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 1.0 109.263 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.577 HG22 ' CE1' ' A' ' 72' ' ' PHE . 0.5 OUTLIER -150.03 167.72 25.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 1.0 110.431 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.55 ' CD1' ' N ' ' A' ' 109' ' ' GLY . 1.2 tt -135.4 117.31 15.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 1.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.1 m -103.57 110.32 22.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.171 . . . . 1.0 110.002 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.459 HG12 ' CD1' ' A' ' 88' ' ' LEU . 0.2 OUTLIER -127.57 -173.54 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 1.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.1 m -107.64 166.38 10.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 1.0 110.332 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -75.98 165.08 25.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.421 1.076 . . . . 1.0 109.274 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 37.65 30.2 0.06 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.486 1.116 . . . . 1.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.498 ' OE2' ' CE ' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -91.59 165.6 13.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 0.776 . . . . 1.0 110.288 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.26 85.92 3.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 1.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.51 ' CD2' ' C ' ' A' ' 88' ' ' LEU . 1.8 tt -150.37 125.74 10.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 1.0 109.369 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 31.4 mtt180 -135.2 144.43 46.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 1.0 110.26 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.464 ' CG1' ' HB3' ' A' ' 100' ' ' CYS . 12.1 t -71.62 127.96 34.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 1.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.1 mt -108.23 -30.59 8.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 1.0 109.299 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -131.25 166.37 22.83 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.502 1.126 . . . . 1.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -127.93 178.98 5.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 0.76 . . . . 1.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.666 ' ND2' ' CZ3' ' A' ' 110' ' ' TRP . 0.5 OUTLIER -86.17 -179.5 6.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.162 . . . . 1.0 109.352 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.415 ' CD2' ' H ' ' A' ' 95' ' ' HIS . 6.2 p80 -88.15 -42.7 12.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 1.0 109.582 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 57.1 m-20 -94.85 16.31 16.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.579 1.175 . . . . 1.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 50.25 66.32 2.43 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.5 1.125 . . . . 1.0 110.984 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -120.99 -49.01 2.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 1.0 110.331 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.548 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 7.8 m95 -127.87 175.08 8.62 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.986 -1.116 . . . . 1.0 107.986 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.464 ' HB3' ' CG1' ' A' ' 90' ' ' VAL . 18.2 m -136.18 139.42 42.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 1.0 108.305 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -88.56 130.67 35.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 1.0 110.264 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -135.16 164.11 28.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 1.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.461 ' CG ' ' HG3' ' A' ' 108' ' ' GLN . 0.0 OUTLIER -120.8 173.8 6.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 1.0 110.283 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.531 ' HG1' ' N ' ' A' ' 107' ' ' GLY . 1.5 p -135.11 155.0 51.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 1.0 110.414 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.498 ' CE ' ' OE2' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -40.17 -35.64 0.42 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 1.0 109.342 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -149.35 68.18 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 1.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.531 ' N ' ' HG1' ' A' ' 104' ' ' THR . . . 157.73 161.02 10.58 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.504 1.127 . . . . 1.0 110.962 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.461 ' HG3' ' CG ' ' A' ' 103' ' ' GLN . 31.6 tt0 -152.25 147.36 26.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 0.748 . . . . 1.0 110.263 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.55 ' N ' ' CD1' ' A' ' 80' ' ' LEU . . . -177.38 -167.08 35.16 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.489 1.118 . . . . 1.0 111.004 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.666 ' CZ3' ' ND2' ' A' ' 94' ' ' ASN . 37.1 m95 -87.14 150.56 23.89 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.017 -1.105 . . . . 1.0 108.017 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.556 ' CG2' ' CD1' ' A' ' 116' ' ' ILE . 1.0 OUTLIER -147.59 129.49 7.48 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 1.0 109.289 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.548 ' HD3' ' CZ3' ' A' ' 99' ' ' TRP . 18.3 Cg_endo -74.98 142.04 27.45 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 1.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 116' ' ' ILE . 1.9 t -75.57 -24.0 56.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 1.0 110.037 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -69.6 -8.78 50.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 1.0 109.277 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.417 ' CE1' ' O ' ' A' ' 71' ' ' ASP . 1.0 OUTLIER -108.17 -17.58 13.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 1.0 111.012 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.556 ' CD1' ' CG2' ' A' ' 111' ' ' VAL . 11.8 mt -114.69 147.48 18.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 1.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.479 ' CG2' ' HB2' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -124.25 159.26 57.93 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 1.0 110.41 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 173.18 14.95 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.492 1.785 . . . . 1.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.45 ' CG1' ' N ' ' A' ' 120' ' ' SER . 97.7 t -77.8 -111.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 1.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.45 ' N ' ' CG1' ' A' ' 119' ' ' VAL . 83.6 p . . . . . 0 C--O 1.25 1.094 0 CA-C-O 116.966 -1.493 . . . . 1.0 109.958 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.413 ' N ' HD21 ' A' ' 65' ' ' LEU . 3.5 mm? . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.33 -0.618 . . . . 1.0 109.33 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.494 ' N ' ' CD1' ' A' ' 66' ' ' PHE . 3.9 m-85 -116.9 162.19 18.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 1.0 110.992 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -128.13 142.24 44.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 1.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 88' ' ' LEU . . . -70.44 142.12 52.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 1.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.49 ' CD1' ' CG2' ' A' ' 117' ' ' THR . 0.5 OUTLIER -98.51 -59.0 1.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 1.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -109.72 167.92 9.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 1.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.468 ' N ' ' OD1' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -86.55 178.12 7.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 1.0 109.286 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.567 ' CE1' HG22 ' A' ' 79' ' ' THR . 6.3 t80 -119.12 157.22 28.32 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.46 1.1 . . . . 1.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.7 t -118.31 143.76 28.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 1.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.75 103.99 1.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 1.0 109.344 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.6 t -150.06 124.59 9.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 1.0 109.987 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.87 -157.3 25.14 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.462 1.101 . . . . 1.0 111.019 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.69 -68.71 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.758 . . . . 1.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -76.99 83.25 3.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 1.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.567 HG22 ' CE1' ' A' ' 72' ' ' PHE . 0.3 OUTLIER -136.91 169.89 17.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 1.0 110.378 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.537 ' O ' ' CG ' ' A' ' 72' ' ' PHE . 1.2 tt -135.01 117.8 16.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 1.0 109.332 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.433 ' N ' HD21 ' A' ' 80' ' ' LEU . 49.8 m -95.03 107.43 19.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 1.0 109.996 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.438 HG13 ' CD1' ' A' ' 88' ' ' LEU . 0.0 OUTLIER -120.74 169.91 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 1.0 109.334 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.4 m -114.59 161.51 17.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 1.0 110.371 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.555 ' O ' ' C ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -60.57 179.56 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 1.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.555 ' C ' ' O ' ' A' ' 84' ' ' LYS . . . 22.47 58.54 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.455 1.097 . . . . 1.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -125.65 152.59 45.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 1.0 110.282 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.403 ' HG3' ' NH2' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -69.32 81.48 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 1.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.469 ' HB3' ' CB ' ' A' ' 68' ' ' ALA . 1.8 tt -122.03 117.64 26.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 1.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.436 ' N ' HD21 ' A' ' 88' ' ' LEU . 4.4 mtt85 -133.77 140.08 46.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 1.0 110.323 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.564 HG12 ' CE2' ' A' ' 93' ' ' TYR . 54.0 t -69.28 123.72 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 1.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.6 mt -105.06 -29.81 10.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 1.0 109.337 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -129.86 157.23 21.79 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.484 1.115 . . . . 1.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.566 ' CD1' ' HB3' ' A' ' 100' ' ' CYS . 1.1 m-85 -142.03 147.41 36.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.766 . . . . 1.0 111.021 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.574 ' ND2' ' O ' ' A' ' 99' ' ' TRP . 7.4 p30 -71.16 -151.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 1.0 109.273 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.465 ' N ' ' OD1' ' A' ' 94' ' ' ASN . 18.6 t-160 -121.71 -47.52 2.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 1.0 109.629 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.581 ' O ' ' C ' ' A' ' 97' ' ' GLY . 37.6 m-80 -84.72 45.2 1.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 1.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.581 ' C ' ' O ' ' A' ' 96' ' ' ASN . . . 19.55 56.64 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.501 1.125 . . . . 1.0 111.047 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 96' ' ' ASN . 0.6 OUTLIER -105.84 -59.61 1.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 0.782 . . . . 1.0 110.297 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.574 ' O ' ' ND2' ' A' ' 94' ' ' ASN . 13.5 m95 -136.79 154.03 50.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 1.0 108.007 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.566 ' HB3' ' CD1' ' A' ' 93' ' ' TYR . 0.9 OUTLIER -122.13 140.24 52.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 1.0 108.247 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -83.66 136.97 34.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 1.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.41 ' HB1' ' CG1' ' A' ' 111' ' ' VAL . . . -132.47 160.61 35.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 1.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -123.34 150.31 43.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 1.0 110.286 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 105' ' ' LYS . 3.1 m -104.65 160.65 14.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 1.0 110.379 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 104' ' ' THR . 5.2 tptp -39.34 -53.61 1.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 1.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -133.97 55.03 1.92 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 1.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 178.87 -176.27 47.87 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.521 1.138 . . . . 1.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -150.39 179.32 8.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 0.781 . . . . 1.0 110.344 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.452 ' N ' HD13 ' A' ' 80' ' ' LEU . . . 155.48 -179.99 31.03 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.541 1.151 . . . . 1.0 110.986 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -95.49 159.59 14.92 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.004 -1.11 . . . . 1.0 108.004 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.411 ' O ' ' O ' ' A' ' 100' ' ' CYS . 4.9 p -158.47 129.94 3.91 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 1.0 109.328 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.543 ' HG3' ' CH2' ' A' ' 99' ' ' TRP . 18.4 Cg_endo -74.93 144.61 30.71 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 1.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 116' ' ' ILE . 0.3 OUTLIER -73.86 -10.8 60.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 1.0 110.025 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -71.12 -28.09 64.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 1.0 109.257 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -102.93 2.24 34.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 1.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.412 ' O ' ' O ' ' A' ' 113' ' ' SER . 7.7 mm -126.7 147.72 31.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 1.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.49 ' CG2' ' CD1' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -130.59 156.62 79.46 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 1.0 110.391 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -179.37 4.91 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.502 1.791 . . . . 1.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.524 ' CG2' ' N ' ' A' ' 120' ' ' SER . 1.8 p -69.05 -103.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 1.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.524 ' N ' ' CG2' ' A' ' 119' ' ' VAL . 11.9 p . . . . . 0 C--O 1.25 1.097 0 CA-C-O 117.03 -1.462 . . . . 1.0 110.024 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.321 -0.622 . . . . 1.0 109.321 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.579 ' CD2' ' HB ' ' A' ' 90' ' ' VAL . 0.4 OUTLIER -115.6 153.72 30.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 1.0 111.005 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.502 ' CG1' ' CG2' ' A' ' 119' ' ' VAL . 0.8 OUTLIER -104.62 153.29 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 1.0 109.356 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.477 ' CB ' ' HB3' ' A' ' 88' ' ' LEU . . . -68.89 125.39 26.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 1.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.475 ' HG ' ' CG2' ' A' ' 117' ' ' THR . 0.2 OUTLIER -77.8 -77.66 0.15 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 1.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -105.1 178.27 4.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 1.0 110.997 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.536 ' N ' ' OD1' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -77.93 176.22 9.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 1.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -124.18 167.04 14.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 1.0 111.029 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.427 HG21 ' N ' ' A' ' 74' ' ' ALA . 13.1 p -125.38 154.93 34.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 1.0 109.348 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.427 ' N ' HG21 ' A' ' 73' ' ' VAL . . . -70.68 145.63 50.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 1.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.24 162.96 39.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 1.0 109.999 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.408 ' O ' ' CG ' ' A' ' 77' ' ' ASP . . . -107.61 56.25 0.49 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.499 1.125 . . . . 1.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 78' ' ' ASN . 4.5 m-20 -166.86 85.47 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 0.75 . . . . 1.0 109.335 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 77' ' ' ASP . 7.6 m120 38.99 68.29 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 1.0 109.334 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.477 HG21 ' N ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -134.0 160.12 38.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 1.0 110.4 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.503 ' CD1' ' O ' ' A' ' 108' ' ' GLN . 2.4 tt -136.36 121.2 18.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 1.0 109.338 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.1 m -67.76 110.81 3.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 1.0 110.012 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.492 HD11 ' CD1' ' A' ' 88' ' ' LEU . 0.0 OUTLIER -119.81 152.62 22.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 1.0 109.342 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.3 m -111.12 160.61 16.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.09 . . . . 1.0 110.405 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.47 ' O ' ' C ' ' A' ' 85' ' ' GLY . 4.4 pttt -62.25 -176.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 1.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 84' ' ' LYS . . . 32.18 38.47 0.05 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.461 1.101 . . . . 1.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 84' ' ' LYS . 5.1 tp10 -116.27 155.99 27.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 0.753 . . . . 1.0 110.33 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.7 mttp -72.8 89.66 1.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 1.0 109.328 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.506 ' CD2' ' C ' ' A' ' 88' ' ' LEU . 2.9 tt -129.44 113.14 14.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 1.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.2 mtp85 -136.0 139.23 43.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 1.0 110.285 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.579 ' HB ' ' CD2' ' A' ' 66' ' ' PHE . 92.9 t -71.33 111.05 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 1.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.434 ' CD1' ' CD ' ' A' ' 103' ' ' GLN . 0.8 OUTLIER -113.7 -7.84 13.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 1.0 109.29 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -153.48 168.29 32.09 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.469 1.106 . . . . 1.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -131.5 176.99 7.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 0.755 . . . . 1.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.492 ' ND2' ' CZ3' ' A' ' 110' ' ' TRP . 0.5 OUTLIER -78.08 165.6 23.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 1.0 109.341 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -91.21 41.73 1.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 1.0 109.616 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -168.8 -53.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 1.0 109.334 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 124.99 55.95 0.17 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.519 1.137 . . . . 1.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.504 ' CG ' ' N ' ' A' ' 99' ' ' TRP . 12.6 pt-20 -120.04 -47.83 2.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.756 . . . . 1.0 110.282 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.563 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 8.0 m95 -133.02 174.54 10.25 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.996 -1.113 . . . . 1.0 107.996 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 35.6 m -135.5 132.71 37.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 1.0 108.295 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -85.01 151.18 24.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.079 . . . . 1.0 110.325 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -135.22 171.48 14.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 1.0 109.334 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.434 ' CD ' ' CD1' ' A' ' 91' ' ' LEU . 51.2 mt-30 -105.08 135.55 46.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 1.0 110.27 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.52 ' O ' ' C ' ' A' ' 105' ' ' LYS . 1.2 p -104.2 176.69 5.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 1.0 110.382 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.52 ' C ' ' O ' ' A' ' 104' ' ' THR . 0.0 OUTLIER -30.81 -54.22 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 1.0 109.277 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 21.4 m-20 -150.16 58.71 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 1.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 178.97 -136.54 2.9 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.514 1.133 . . . . 1.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.516 ' O ' ' CG2' ' A' ' 104' ' ' THR . 4.5 mt-30 -133.26 -168.85 2.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 0.787 . . . . 1.0 110.272 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.439 ' HA2' ' HB3' ' A' ' 80' ' ' LEU . . . -176.56 128.79 1.39 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.468 1.105 . . . . 1.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.492 ' CZ3' ' ND2' ' A' ' 94' ' ' ASN . 37.5 m95 -92.81 129.43 38.74 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.959 -1.126 . . . . 1.0 107.959 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.482 ' CG2' ' HD2' ' A' ' 112' ' ' PRO . 6.8 p -160.78 141.71 8.73 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 1.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.563 ' HD3' ' CZ3' ' A' ' 99' ' ' TRP . 18.4 Cg_endo -74.94 148.31 35.41 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.455 1.766 . . . . 1.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.15 -12.25 49.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 1.0 110.025 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.35 -39.99 77.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 1.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -95.7 13.69 25.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 1.0 111.024 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.468 ' CD1' ' HA ' ' A' ' 68' ' ' ALA . 10.8 mm -126.71 154.28 36.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 1.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.475 ' CG2' ' HG ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -133.54 138.95 32.36 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 1.0 110.425 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 175.23 11.52 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.519 1.8 . . . . 1.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.502 ' CG2' ' CG1' ' A' ' 67' ' ' VAL . 83.4 t -113.92 4.55 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 1.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 10.5 t . . . . . 0 C--O 1.25 1.104 0 CA-C-O 117.032 -1.461 . . . . 1.0 109.998 -179.98 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.343 -0.614 . . . . 1.0 109.343 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.559 ' N ' ' CD1' ' A' ' 66' ' ' PHE . 0.8 OUTLIER -108.19 158.66 17.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 1.0 111.006 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -126.25 156.44 36.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 1.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.549 ' CB ' ' CD2' ' A' ' 88' ' ' LEU . . . -79.3 88.67 4.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 1.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.495 ' HB2' ' CG2' ' A' ' 117' ' ' THR . 0.3 OUTLIER -69.89 -44.98 68.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 1.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -103.7 165.5 11.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 1.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.53 156.24 20.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 1.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.582 ' CZ ' ' HB1' ' A' ' 74' ' ' ALA . 12.1 t80 -138.15 117.92 13.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 1.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.7 p -135.12 58.59 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 1.0 109.244 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.582 ' HB1' ' CZ ' ' A' ' 72' ' ' PHE . . . -75.17 163.98 26.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 1.0 109.256 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.12 93.31 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 1.0 109.999 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -169.77 -131.81 1.37 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.505 1.128 . . . . 1.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -64.14 -167.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 0.755 . . . . 1.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -43.06 101.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 1.0 109.317 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -147.49 158.1 43.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 1.0 110.423 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.463 ' CD1' ' C ' ' A' ' 108' ' ' GLN . 1.7 tt -135.85 117.45 14.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 1.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 48.9 m -81.22 112.91 18.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 1.0 110.041 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.461 ' CD1' ' CD2' ' A' ' 80' ' ' LEU . 0.5 OUTLIER -107.72 168.55 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 1.0 109.272 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.2 m -115.75 156.73 25.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 1.0 110.417 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 86' ' ' GLU . 1.0 OUTLIER -65.36 -177.81 0.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 1.0 109.355 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.418 ' N ' ' HE2' ' A' ' 84' ' ' LYS . . . 37.58 29.83 0.05 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.502 1.126 . . . . 1.0 110.957 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 84' ' ' LYS . 0.7 OUTLIER -109.65 159.79 16.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 0.779 . . . . 1.0 110.296 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.467 ' H ' ' CD ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -90.11 78.19 6.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 1.0 109.318 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.549 ' CD2' ' CB ' ' A' ' 68' ' ' ALA . 0.1 OUTLIER -127.13 126.13 42.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 1.0 109.29 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.462 ' CB ' ' O ' ' A' ' 66' ' ' PHE . 7.2 mtt180 -132.02 153.54 50.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 1.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.468 ' CG2' ' HB2' ' A' ' 100' ' ' CYS . 5.0 t -69.52 156.66 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 1.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.7 mt -118.0 -53.06 2.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 1.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -139.31 -173.91 13.31 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.551 1.157 . . . . 1.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -137.6 152.48 49.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 1.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.443 ' OD1' ' O ' ' A' ' 99' ' ' TRP . 0.4 OUTLIER -75.67 57.14 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 1.0 109.318 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.496 ' CG ' ' O ' ' A' ' 95' ' ' HIS . 77.0 t60 37.97 44.41 0.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 1.0 109.58 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 176.74 166.83 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 1.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -91.74 61.33 2.74 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.437 1.086 . . . . 1.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.32 -63.04 1.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 1.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.531 ' CZ2' ' HB3' ' A' ' 112' ' ' PRO . 13.2 m95 -133.32 159.36 40.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 1.0 108.025 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.468 ' HB2' ' CG2' ' A' ' 90' ' ' VAL . 2.2 m -136.92 127.09 26.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 1.0 108.326 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.474 ' HG3' ' CD1' ' A' ' 110' ' ' TRP . 11.5 tt0 -70.44 131.52 44.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 1.0 110.31 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.405 ' HB2' ' CG1' ' A' ' 111' ' ' VAL . . . -135.2 159.3 41.96 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.506 1.129 . . . . 1.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.427 ' HB3' ' CG ' ' A' ' 108' ' ' GLN . 0.9 OUTLIER -107.68 177.01 4.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 1.0 110.319 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.417 ' N ' ' O ' ' A' ' 107' ' ' GLY . 1.8 m -135.0 157.36 47.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 1.0 110.401 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 104' ' ' THR . 1.9 pttp -39.84 -56.07 1.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 1.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.95 55.77 1.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 1.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 104' ' ' THR . . . 176.17 168.86 36.95 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.465 1.103 . . . . 1.0 110.982 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.463 ' C ' ' CD1' ' A' ' 80' ' ' LEU . 2.7 mt-30 -151.14 147.81 27.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 0.744 . . . . 1.0 110.337 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.404 ' N ' HD11 ' A' ' 80' ' ' LEU . . . 178.41 -164.19 32.66 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.121 . . . . 1.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.474 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 7.5 m95 -99.47 145.79 27.06 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.005 -1.109 . . . . 1.0 108.005 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.594 ' CG2' ' CD1' ' A' ' 116' ' ' ILE . 1.9 m -137.58 136.16 19.97 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 1.0 109.246 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.575 ' HD3' ' CZ ' ' A' ' 72' ' ' PHE . 18.2 Cg_endo -74.98 140.75 25.89 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.511 1.795 . . . . 1.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.461 ' O ' ' O ' ' A' ' 116' ' ' ILE . 0.1 OUTLIER -76.09 -12.91 60.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 1.0 109.98 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.542 ' OD1' ' CD1' ' A' ' 115' ' ' TYR . 30.3 p30 -73.04 -15.28 61.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 1.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.542 ' CD1' ' OD1' ' A' ' 114' ' ' ASN . 3.1 m-30 -111.19 -6.04 14.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 1.0 111.054 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.594 ' CD1' ' CG2' ' A' ' 111' ' ' VAL . 9.2 mt -129.69 144.9 36.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 1.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.495 ' CG2' ' HB2' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -131.45 158.86 74.12 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 1.0 110.458 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.539 ' HB3' ' CD1' ' A' ' 66' ' ' PHE . 18.3 Cg_endo -75.01 170.31 20.69 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.504 1.792 . . . . 1.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 97.5 t -86.21 4.58 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 1.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 34.3 t . . . . . 0 C--O 1.249 1.064 0 CA-C-O 116.972 -1.49 . . . . 1.0 110.03 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.405 HD21 ' N ' ' A' ' 65' ' ' LEU . 3.6 mm? . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.325 -0.62 . . . . 1.0 109.325 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.566 ' CD1' ' HB ' ' A' ' 90' ' ' VAL . 0.6 OUTLIER -122.35 157.67 31.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 1.0 111.014 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.409 ' N ' ' O ' ' A' ' 117' ' ' THR . 0.0 OUTLIER -116.55 142.12 31.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 1.0 109.298 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.48 ' CB ' HD21 ' A' ' 88' ' ' LEU . . . -70.09 137.97 51.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 1.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.491 ' CD1' ' CG2' ' A' ' 117' ' ' THR . 0.5 OUTLIER -95.79 -65.3 0.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 1.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -107.16 176.86 5.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 1.0 111.019 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -99.93 172.47 7.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 1.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.546 ' CD1' ' N ' ' A' ' 73' ' ' VAL . 17.5 t80 -111.67 159.47 18.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 1.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.546 ' N ' ' CD1' ' A' ' 72' ' ' PHE . 11.7 p -115.75 114.85 47.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 1.0 109.307 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -45.05 124.6 4.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 1.0 109.259 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.0 p -150.0 -65.79 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 1.0 109.992 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -82.21 -176.19 51.1 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.516 1.135 . . . . 1.0 111.033 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -100.54 -56.42 2.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 1.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -62.93 -13.78 38.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 1.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.478 HG23 ' CE1' ' A' ' 72' ' ' PHE . 0.3 OUTLIER -69.87 171.86 8.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 1.0 110.383 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.478 ' N ' ' CG2' ' A' ' 79' ' ' THR . 1.2 tt -135.54 117.84 15.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 1.0 109.277 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.4 m -89.52 110.34 21.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 1.0 109.976 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.488 ' CG2' ' OE2' ' A' ' 86' ' ' GLU . 0.1 OUTLIER -115.9 176.58 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 1.0 109.323 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.5 m -119.75 153.25 35.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 1.0 110.37 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -62.71 -178.17 0.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 1.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 84' ' ' LYS . . . 36.14 32.73 0.05 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.473 1.108 . . . . 1.0 111.037 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.488 ' OE2' ' CG2' ' A' ' 82' ' ' ILE . 15.9 tt0 -105.59 166.78 10.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 0.798 . . . . 1.0 110.342 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.4 pttp -90.79 68.31 6.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 1.0 109.265 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.523 ' CD2' ' C ' ' A' ' 88' ' ' LEU . 1.0 OUTLIER -111.42 123.63 50.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 1.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 -135.09 144.86 47.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 1.0 110.289 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.566 ' HB ' ' CD1' ' A' ' 66' ' ' PHE . 2.9 t -75.13 116.23 17.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 1.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.4 mt -115.32 7.98 15.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 1.0 109.332 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -146.58 151.1 23.41 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.483 1.114 . . . . 1.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -142.99 144.51 32.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 0.748 . . . . 1.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.544 ' OD1' ' CG ' ' A' ' 95' ' ' HIS . 0.3 OUTLIER -85.15 175.01 9.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.422 1.076 . . . . 1.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.544 ' CG ' ' OD1' ' A' ' 94' ' ' ASN . 4.6 p-80 -38.74 -73.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 1.0 109.6 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.439 ' O ' ' ND2' ' A' ' 94' ' ' ASN . 0.7 OUTLIER -80.8 -173.26 4.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 1.0 109.289 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -105.42 68.14 0.25 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.47 1.107 . . . . 1.0 111.03 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.34 -52.13 2.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 0.774 . . . . 1.0 110.316 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.481 ' CH2' ' HG3' ' A' ' 112' ' ' PRO . 22.7 m95 -125.78 153.51 43.91 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.985 -1.117 . . . . 1.0 107.985 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.472 ' HB2' ' CG1' ' A' ' 90' ' ' VAL . 0.8 OUTLIER -135.73 139.4 43.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 1.0 108.248 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -77.68 132.06 38.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 1.0 110.312 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.457 ' HB1' ' CG1' ' A' ' 111' ' ' VAL . . . -127.9 159.61 34.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 1.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -121.95 157.15 31.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 1.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.43 ' O ' ' O ' ' A' ' 107' ' ' GLY . 77.0 m -135.49 145.49 47.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 1.0 110.427 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.04 -16.54 19.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 1.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -91.8 -39.37 11.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 1.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 104' ' ' THR . . . -169.9 -144.89 4.46 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.552 1.158 . . . . 1.0 110.983 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.403 ' HA ' ' CD1' ' A' ' 80' ' ' LEU . 1.9 tt0 -150.34 163.76 37.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 0.743 . . . . 1.0 110.293 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.451 ' N ' HD11 ' A' ' 80' ' ' LEU . . . 172.91 -169.23 42.38 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.534 1.146 . . . . 1.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 30.9 m95 -93.21 150.49 20.46 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.993 -1.114 . . . . 1.0 107.993 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.472 ' CG2' HD13 ' A' ' 116' ' ' ILE . 0.9 OUTLIER -147.57 126.91 6.42 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 1.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.481 ' HG3' ' CH2' ' A' ' 99' ' ' TRP . 18.4 Cg_endo -75.0 140.05 24.99 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.453 1.765 . . . . 1.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 116' ' ' ILE . 39.1 t -72.91 -5.09 36.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 1.0 110.014 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -71.23 -34.12 70.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 1.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -97.23 9.44 42.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 1.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.472 HD13 ' CG2' ' A' ' 111' ' ' VAL . 8.6 mt -135.29 157.01 39.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 1.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.491 ' CG2' ' CD1' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -134.0 154.06 80.07 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 1.0 110.388 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 179.46 6.04 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.461 1.769 . . . . 1.0 111.03 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.472 ' CG1' ' N ' ' A' ' 120' ' ' SER . 83.5 t -101.24 -107.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 1.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.472 ' N ' ' CG1' ' A' ' 119' ' ' VAL . 30.3 m . . . . . 0 C--O 1.25 1.1 0 CA-C-O 116.999 -1.477 . . . . 1.0 109.985 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.501 ' O ' ' CG2' ' A' ' 119' ' ' VAL . 4.1 mm? . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.318 -0.623 . . . . 1.0 109.318 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.566 ' CD1' ' HB3' ' A' ' 118' ' ' PRO . 1.2 m-85 -122.47 158.28 30.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 1.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -115.83 141.18 34.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 1.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.474 ' CB ' HD21 ' A' ' 88' ' ' LEU . . . -69.93 132.35 45.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 1.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.465 ' HG ' ' CG2' ' A' ' 117' ' ' THR . 1.1 mt -95.35 -77.04 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 1.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -86.26 148.24 25.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 1.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.1 p30 -72.43 -177.29 2.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.153 . . . . 1.0 109.334 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.574 ' CE1' HG22 ' A' ' 79' ' ' THR . 3.8 t80 -129.82 141.91 50.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 1.0 111.007 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.8 p -118.66 122.95 70.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 1.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.04 139.39 17.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 1.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.4 m -148.6 -66.64 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 1.0 109.962 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -111.51 172.79 15.21 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 1.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 78' ' ' ASN . 42.0 m-20 -58.76 173.3 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 1.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 77' ' ' ASP . 1.2 t-20 39.17 82.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 1.0 109.31 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.574 HG22 ' CE1' ' A' ' 72' ' ' PHE . 0.3 OUTLIER -149.28 169.72 20.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 1.0 110.434 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.494 ' O ' ' CG ' ' A' ' 72' ' ' PHE . 1.3 tt -135.39 117.76 15.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 1.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.0 m -99.26 111.79 24.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 1.0 109.997 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.419 ' CG1' HD23 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -128.89 -176.67 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 1.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 16.1 m -108.43 171.68 7.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 1.0 110.43 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -75.88 165.05 25.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 1.0 109.327 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 37.49 31.02 0.06 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.497 1.123 . . . . 1.0 110.983 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 84' ' ' LYS . 4.4 tp10 -91.03 148.64 22.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 1.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -69.86 91.52 0.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 1.0 109.265 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.506 ' CD2' ' C ' ' A' ' 88' ' ' LEU . 0.5 OUTLIER -145.6 130.04 17.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 1.0 109.285 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.6 mtp180 -135.13 149.96 50.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 1.0 110.322 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.473 ' CG1' ' HB3' ' A' ' 100' ' ' CYS . 5.1 t -69.78 134.82 29.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 1.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.46 HD11 ' CG ' ' A' ' 103' ' ' GLN . 1.2 mt -108.72 -36.7 6.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 1.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -132.06 172.85 20.9 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.495 1.122 . . . . 1.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -131.25 171.97 12.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 0.757 . . . . 1.0 111.037 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.65 ' ND2' ' CH2' ' A' ' 110' ' ' TRP . 0.5 OUTLIER -80.91 137.27 36.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.108 . . . . 1.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.568 ' CD2' ' N ' ' A' ' 95' ' ' HIS . 0.0 OUTLIER -36.84 -69.33 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 1.0 109.565 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -59.73 -59.81 4.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 1.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 131.71 68.8 0.09 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.48 1.112 . . . . 1.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.564 ' HG3' ' CD1' ' A' ' 99' ' ' TRP . 1.2 tp10 -120.48 -58.5 1.84 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 0.763 . . . . 1.0 110.29 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.564 ' CD1' ' HG3' ' A' ' 98' ' ' GLU . 14.3 m0 -120.46 179.25 4.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 1.0 107.983 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.473 ' HB3' ' CG1' ' A' ' 90' ' ' VAL . 69.5 m -136.59 139.69 42.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 1.0 108.3 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -86.96 133.12 33.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 1.0 110.284 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.434 ' O ' ' CD1' ' A' ' 80' ' ' LEU . . . -135.69 158.85 43.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 1.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.46 ' CG ' HD11 ' A' ' 91' ' ' LEU . 2.9 pt20 -125.92 167.19 15.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 1.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.49 ' O ' ' C ' ' A' ' 105' ' ' LYS . 6.5 p -131.74 173.49 11.1 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.556 1.16 . . . . 1.0 110.4 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.49 ' C ' ' O ' ' A' ' 104' ' ' THR . 0.2 OUTLIER -32.9 -69.43 0.09 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 1.0 109.251 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -131.68 53.81 1.97 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 1.0 109.316 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.483 ' O ' ' N ' ' A' ' 104' ' ' THR . . . -169.08 128.53 1.7 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.532 1.145 . . . . 1.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.443 ' CG ' ' HB3' ' A' ' 103' ' ' GLN . 9.4 mp0 -122.12 157.68 30.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 0.769 . . . . 1.0 110.256 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.413 ' N ' ' CD1' ' A' ' 80' ' ' LEU . . . 169.24 -173.54 43.65 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.546 1.154 . . . . 1.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.65 ' CH2' ' ND2' ' A' ' 94' ' ' ASN . 28.7 m95 -87.96 160.99 17.67 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.009 -1.108 . . . . 1.0 108.009 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.471 ' CG2' HD13 ' A' ' 116' ' ' ILE . 3.6 p -159.83 131.49 4.06 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 1.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.527 ' HB3' ' CE2' ' A' ' 99' ' ' TRP . 18.3 Cg_endo -74.99 145.4 31.44 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.45 1.763 . . . . 1.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.16 -21.57 58.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 1.0 110.012 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.431 ' ND2' ' HB2' ' A' ' 112' ' ' PRO . 1.8 p30 -69.7 -12.94 62.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 1.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -104.87 -13.32 15.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 1.0 111.036 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.471 HD13 ' CG2' ' A' ' 111' ' ' VAL . 62.4 mt -117.07 149.98 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 1.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.465 ' CG2' ' HG ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -128.9 147.22 63.76 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 1.0 110.398 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.566 ' HB3' ' CD1' ' A' ' 66' ' ' PHE . 18.3 Cg_endo -74.98 175.23 11.5 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.536 1.809 . . . . 1.0 110.994 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 65' ' ' LEU . 93.1 t -81.15 -111.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 1.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.454 ' N ' ' CG1' ' A' ' 119' ' ' VAL . 15.2 p . . . . . 0 C--O 1.25 1.094 0 CA-C-O 117.008 -1.472 . . . . 1.0 110.015 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.477 ' O ' ' CG2' ' A' ' 119' ' ' VAL . 3.3 mm? . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.313 -0.625 . . . . 1.0 109.313 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.472 ' CD2' ' HB3' ' A' ' 118' ' ' PRO . 7.1 m-85 -112.04 163.4 14.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 1.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -121.79 147.8 25.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 1.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.09 123.98 23.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 1.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.5 ' CD1' ' CG2' ' A' ' 117' ' ' THR . 0.3 OUTLIER -80.46 -78.39 0.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 1.0 109.288 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -102.46 169.42 8.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 1.0 110.99 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.498 ' CG ' ' N ' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -86.09 169.41 13.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 1.0 109.345 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.608 ' CZ ' ' O ' ' A' ' 73' ' ' VAL . 0.3 OUTLIER -104.23 146.77 28.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 1.0 111.006 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.608 ' O ' ' CZ ' ' A' ' 72' ' ' PHE . 74.6 t -101.06 153.82 4.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 1.0 109.349 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -44.35 128.31 6.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 1.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 26.8 m -150.11 -174.74 4.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 1.0 109.997 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -148.56 170.78 29.02 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.532 1.145 . . . . 1.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 78' ' ' ASN . 23.7 m-20 57.87 107.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 0.784 . . . . 1.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 77' ' ' ASP . 4.4 p30 39.48 81.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 1.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.576 HG22 ' CZ ' ' A' ' 72' ' ' PHE . 0.3 OUTLIER -138.01 167.62 21.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 1.0 110.38 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.435 ' CD2' HG12 ' A' ' 82' ' ' ILE . 1.8 tt -135.9 118.32 15.77 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.479 1.112 . . . . 1.0 109.262 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.569 ' HA ' ' CD1' ' A' ' 72' ' ' PHE . 50.8 m -90.99 108.07 19.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 1.0 110.01 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.483 ' CD1' HD11 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -133.41 162.54 39.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 1.0 109.279 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.1 m -105.58 172.86 6.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 1.0 110.409 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -75.39 163.43 27.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 1.0 109.301 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 37.55 30.9 0.06 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.517 1.136 . . . . 1.0 111.02 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 84' ' ' LYS . 1.9 tt0 -88.08 150.51 23.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 0.766 . . . . 1.0 110.295 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -76.3 83.99 3.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 1.0 109.327 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.483 HD11 ' CD1' ' A' ' 82' ' ' ILE . 1.2 tt -131.54 133.63 45.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 1.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 20.2 mmm-85 -135.01 139.93 45.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 1.0 110.286 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.2 t -77.33 118.04 23.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 1.0 109.341 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.3 mt -112.82 -6.31 13.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 1.0 109.28 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -125.87 145.8 15.9 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.471 1.107 . . . . 1.0 110.958 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -123.83 156.0 36.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 0.79 . . . . 1.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.466 ' ND2' ' H ' ' A' ' 99' ' ' TRP . 23.6 p-10 -105.89 171.49 7.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 1.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -135.25 20.56 3.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 1.0 109.595 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.54 ' ND2' ' N ' ' A' ' 97' ' ' GLY . 0.0 OUTLIER -101.93 -54.95 2.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 1.0 109.255 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.54 ' N ' ' ND2' ' A' ' 96' ' ' ASN . . . -142.87 -119.51 1.44 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.467 1.104 . . . . 1.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -121.95 68.03 0.92 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 0.759 . . . . 1.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.524 ' CH2' ' HG3' ' A' ' 112' ' ' PRO . 41.9 m95 -136.27 148.3 47.94 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.013 -1.106 . . . . 1.0 108.013 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 2.3 m -135.78 136.54 40.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 1.0 108.271 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -71.66 132.94 45.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 1.0 110.277 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -120.74 155.07 34.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 1.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -125.17 131.09 53.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 1.0 110.291 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.488 ' O ' ' O ' ' A' ' 107' ' ' GLY . 7.6 m -106.26 139.84 40.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.078 . . . . 1.0 110.414 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -15.44 9.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 1.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -96.3 -39.44 9.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 1.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.488 ' O ' ' O ' ' A' ' 104' ' ' THR . . . -160.8 -139.59 2.69 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.485 1.115 . . . . 1.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.404 ' C ' ' HG ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -150.86 174.15 13.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 0.75 . . . . 1.0 110.268 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.428 ' N ' ' HG ' ' A' ' 80' ' ' LEU . . . 167.4 -167.68 40.06 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.458 1.099 . . . . 1.0 111.028 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 15.8 m95 -107.67 153.76 22.45 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.985 -1.117 . . . . 1.0 107.985 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.1 p -146.56 126.13 6.68 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 1.0 109.301 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.524 ' HG3' ' CH2' ' A' ' 99' ' ' TRP . 18.1 Cg_endo -75.04 151.42 39.31 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.486 1.782 . . . . 1.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.467 ' O ' ' O ' ' A' ' 116' ' ' ILE . 0.1 OUTLIER -72.56 -17.76 61.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 1.0 109.959 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.53 ' OD1' ' CD1' ' A' ' 115' ' ' TYR . 25.2 p30 -71.56 -16.91 62.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 1.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.53 ' CD1' ' OD1' ' A' ' 114' ' ' ASN . 6.2 m-30 -114.16 -4.8 13.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 1.0 111.029 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.467 ' O ' ' O ' ' A' ' 113' ' ' SER . 8.6 mm -131.5 142.36 43.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 1.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.5 ' CG2' ' CD1' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -123.93 156.19 66.05 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 1.0 110.403 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.472 ' HB3' ' CD2' ' A' ' 66' ' ' PHE . 18.3 Cg_endo -74.99 178.78 6.81 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.56 1.821 . . . . 1.0 110.976 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.477 ' CG2' ' O ' ' A' ' 65' ' ' LEU . 66.9 t -109.17 4.72 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 1.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 88.7 p . . . . . 0 C--O 1.25 1.08 0 CA-C-O 116.984 -1.484 . . . . 1.0 110.006 -180.0 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.417 ' N ' HD21 ' A' ' 65' ' ' LEU . 4.3 mm? . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.306 -0.628 . . . . 1.0 109.306 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.412 ' CD1' ' N ' ' A' ' 66' ' ' PHE . 16.4 m-85 -129.64 164.76 23.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 1.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -129.96 158.41 42.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 1.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.473 ' CB ' ' HB3' ' A' ' 88' ' ' LEU . . . -69.58 131.22 44.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 1.0 109.276 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.506 ' HG ' ' CG2' ' A' ' 117' ' ' THR . 0.3 OUTLIER -76.44 -72.44 0.33 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 1.0 109.324 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.474 ' CE2' HD21 ' A' ' 69' ' ' LEU . 53.7 m-85 -117.05 -179.28 3.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 1.0 111.052 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.68 161.35 29.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 1.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.585 ' CE2' ' HB1' ' A' ' 74' ' ' ALA . 85.1 t80 -121.27 128.57 52.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 1.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.2 t -135.36 78.53 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 1.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.585 ' HB1' ' CE2' ' A' ' 72' ' ' PHE . . . -75.55 -171.02 1.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 1.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.7 p -150.53 -46.51 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 1.0 110.004 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -64.63 176.39 10.96 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.532 1.145 . . . . 1.0 111.023 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.402 ' C ' ' CG ' ' A' ' 78' ' ' ASN . 0.6 OUTLIER -68.07 -176.23 0.68 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 0.742 . . . . 1.0 109.311 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.402 ' CG ' ' C ' ' A' ' 77' ' ' ASP . 1.0 OUTLIER 40.52 72.27 0.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 1.0 109.277 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -148.42 156.9 43.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 1.0 110.388 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.474 ' CD1' ' C ' ' A' ' 108' ' ' GLN . 2.1 tt -133.7 115.58 14.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 1.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.0 m -78.18 109.51 12.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 1.0 110.05 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.455 ' CD1' ' HB3' ' A' ' 72' ' ' PHE . 0.4 OUTLIER -127.21 154.39 37.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 1.0 109.241 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.6 m -104.95 157.31 17.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 1.0 110.411 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.07 174.95 2.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 1.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 49.36 21.34 2.88 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.482 1.114 . . . . 1.0 110.971 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -110.5 172.32 6.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 0.753 . . . . 1.0 110.293 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.1 mttm -69.36 87.75 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 1.0 109.244 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.473 ' HB3' ' CB ' ' A' ' 68' ' ' ALA . 0.6 OUTLIER -137.63 110.06 7.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 1.0 109.317 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.41 ' NH1' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -131.88 144.97 51.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 1.0 110.331 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.452 ' CG1' ' SG ' ' A' ' 100' ' ' CYS . 39.3 t -71.0 121.59 21.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 1.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.421 HD11 ' CB ' ' A' ' 103' ' ' GLN . 2.1 mt -107.33 -25.25 11.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 1.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.401 ' O ' ' SG ' ' A' ' 100' ' ' CYS . . . -162.0 163.17 34.68 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.439 1.087 . . . . 1.0 111.007 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -119.53 -171.81 2.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 1.0 111.028 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.644 ' ND2' ' CZ3' ' A' ' 110' ' ' TRP . 0.6 OUTLIER -83.66 179.45 7.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 1.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -91.99 -45.09 8.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 1.0 109.554 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.505 ' H ' ' ND2' ' A' ' 96' ' ' ASN . 1.1 p30 -92.55 29.38 1.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 1.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 96' ' ' ASN . . . 37.21 68.21 0.38 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.457 1.098 . . . . 1.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.47 -52.9 2.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 1.0 110.299 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.583 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 7.4 m95 -127.93 -174.53 3.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 1.0 107.996 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.452 ' SG ' ' CG1' ' A' ' 90' ' ' VAL . 10.3 t -136.14 151.86 50.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 1.0 108.332 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -115.62 145.04 43.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 1.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.465 ' CB ' HD22 ' A' ' 88' ' ' LEU . . . -135.28 157.05 47.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 1.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.421 ' CB ' HD11 ' A' ' 91' ' ' LEU . 42.6 tt0 -105.26 143.99 32.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 1.0 110.287 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.458 ' O ' ' C ' ' A' ' 105' ' ' LYS . 53.5 m -103.47 164.56 11.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 1.0 110.358 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 104' ' ' THR . 6.9 mtpp -34.44 -45.01 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 1.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -149.68 64.44 1.0 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 1.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 166.91 -166.58 39.22 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.513 1.133 . . . . 1.0 111.031 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.474 ' C ' ' CD1' ' A' ' 80' ' ' LEU . 4.2 mt-30 -152.78 148.76 27.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 0.796 . . . . 1.0 110.237 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.464 ' HA3' ' CB ' ' A' ' 80' ' ' LEU . . . -143.55 179.31 21.09 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.479 1.112 . . . . 1.0 111.045 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.644 ' CZ3' ' ND2' ' A' ' 94' ' ' ASN . 21.0 m95 -114.5 143.54 44.79 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.024 -1.102 . . . . 1.0 108.024 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.431 ' CG1' HD12 ' A' ' 116' ' ' ILE . 3.1 p -160.18 134.31 5.19 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 1.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.583 ' HD3' ' CZ3' ' A' ' 99' ' ' TRP . 18.3 Cg_endo -75.02 147.81 34.35 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.477 1.778 . . . . 1.0 110.955 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.51 -14.49 19.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 1.0 109.999 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -69.26 -37.75 78.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 1.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.451 ' CD2' ' HG2' ' A' ' 112' ' ' PRO . 11.2 m-85 -94.93 4.87 53.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 1.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.431 HD12 ' CG1' ' A' ' 111' ' ' VAL . 11.1 mt -115.09 150.43 17.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 1.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.506 ' CG2' ' HG ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -128.81 157.9 74.03 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 1.0 110.399 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 178.49 7.18 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.487 1.783 . . . . 1.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.516 ' CG2' ' N ' ' A' ' 120' ' ' SER . 1.5 p -68.45 -101.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 1.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.516 ' N ' ' CG2' ' A' ' 119' ' ' VAL . 75.5 m . . . . . 0 C--O 1.249 1.076 0 CA-C-O 117.02 -1.467 . . . . 1.0 109.993 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.331 -0.618 . . . . 1.0 109.331 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.53 146.59 46.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 1.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' A' ' 117' ' ' THR . 0.7 OUTLIER -104.83 153.67 6.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 1.0 109.324 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.433 ' HA ' ' CG2' ' A' ' 116' ' ' ILE . . . -69.88 129.13 38.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 1.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.558 ' CD1' ' CG2' ' A' ' 117' ' ' THR . 0.2 OUTLIER -87.93 -62.84 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 1.0 109.275 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -110.58 165.27 11.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 1.0 111.05 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -74.87 -169.93 0.99 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 1.0 109.345 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.571 ' CE1' HG22 ' A' ' 79' ' ' THR . 1.0 OUTLIER -147.4 137.94 23.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 1.0 110.987 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 75' ' ' SER . 7.1 p -103.22 146.9 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 1.0 109.36 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.46 ' N ' ' OG ' ' A' ' 81' ' ' SER . . . -70.45 60.08 0.2 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 1.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 73' ' ' VAL . 38.3 t -151.52 109.16 3.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 1.0 110.002 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 77' ' ' ASP . . . 156.15 43.19 0.02 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 1.0 110.958 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.442 ' O ' ' O ' ' A' ' 76' ' ' GLY . 0.2 OUTLIER 43.02 95.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 0.768 . . . . 1.0 109.335 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 61.18 96.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 1.0 109.276 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.571 HG22 ' CE1' ' A' ' 72' ' ' PHE . 0.4 OUTLIER -148.64 179.04 8.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 1.0 110.376 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.514 ' N ' ' CG2' ' A' ' 79' ' ' THR . 1.7 tt -131.9 120.05 22.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 1.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.46 ' OG ' ' N ' ' A' ' 74' ' ' ALA . 8.7 m -87.16 111.85 21.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 1.0 109.986 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.476 ' CD1' ' HB2' ' A' ' 72' ' ' PHE . 0.1 OUTLIER -119.72 177.33 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 1.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.9 m -104.47 158.06 16.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 1.0 110.405 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -72.48 165.92 23.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 1.0 109.278 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 40.0 28.1 0.14 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.524 1.14 . . . . 1.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 84' ' ' LYS . 0.3 OUTLIER -97.07 175.19 6.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 0.792 . . . . 1.0 110.3 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.91 85.57 5.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 1.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.515 ' CD2' ' C ' ' A' ' 88' ' ' LEU . 1.8 tt -143.02 119.72 11.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 1.0 109.332 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 9.1 mtt-85 -135.72 131.14 35.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 1.0 110.346 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.474 HG23 ' CG1' ' A' ' 111' ' ' VAL . 2.6 t -68.81 115.77 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 1.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.9 mt -118.99 14.13 13.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 1.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -141.33 145.08 15.38 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.495 1.122 . . . . 1.0 110.965 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -143.83 134.69 25.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 0.805 . . . . 1.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 99' ' ' TRP . 2.8 p30 -69.56 -168.05 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 1.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 96' ' ' ASN . 9.9 p-80 -85.43 -67.41 0.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 1.0 109.609 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.433 ' N ' ' OD1' ' A' ' 94' ' ' ASN . 75.4 m-80 -40.2 -70.06 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 1.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.413 ' CA ' HD22 ' A' ' 94' ' ' ASN . . . 123.79 38.3 0.54 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.505 1.128 . . . . 1.0 110.98 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -105.85 -35.75 7.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 0.738 . . . . 1.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.575 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 15.4 m95 -131.29 156.52 45.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 1.0 108.001 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.432 ' HB2' ' CG1' ' A' ' 90' ' ' VAL . 0.8 OUTLIER -135.56 137.61 42.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 1.0 108.303 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -79.76 140.36 36.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 1.0 110.315 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.474 ' CB ' HG12 ' A' ' 111' ' ' VAL . . . -128.48 156.06 43.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 1.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.4 ' HG2' ' NE2' ' A' ' 108' ' ' GLN . 5.2 mt-30 -121.48 129.5 52.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 1.0 110.351 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 36.8 p -129.05 164.38 23.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 1.0 110.385 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -68.82 -25.25 64.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 1.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.423 ' ND2' HG21 ' A' ' 82' ' ' ILE . 22.0 m-20 -73.31 -26.18 60.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.595 1.184 . . . . 1.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 159.77 -146.32 12.59 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 1.0 111.02 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.432 ' N ' HD13 ' A' ' 80' ' ' LEU . 32.9 mt-30 -146.49 129.53 16.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 0.76 . . . . 1.0 110.267 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -153.45 -166.87 15.09 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.495 1.122 . . . . 1.0 111.034 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.41 ' CE3' ' HB3' ' A' ' 99' ' ' TRP . 51.2 m95 -90.31 157.01 17.86 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.011 -1.107 . . . . 1.0 108.011 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.474 ' CG1' HG23 ' A' ' 90' ' ' VAL . 4.0 p -160.31 124.44 2.05 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 1.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.575 ' HD3' ' CZ3' ' A' ' 99' ' ' TRP . 18.3 Cg_endo -74.94 146.06 32.45 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.463 1.77 . . . . 1.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.482 ' HA ' ' CD1' ' A' ' 116' ' ' ILE . 0.1 OUTLIER -62.13 -15.47 45.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 1.0 110.008 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -76.98 -16.26 59.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 1.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -99.65 -4.83 30.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 1.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.482 ' CD1' ' HA ' ' A' ' 113' ' ' SER . 2.0 pp -133.87 161.08 41.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 1.0 109.275 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.558 ' CG2' ' CD1' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -141.99 154.83 65.56 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 1.0 110.395 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 167.82 26.12 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.451 1.764 . . . . 1.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.437 ' CG1' ' N ' ' A' ' 120' ' ' SER . 89.7 t -73.89 -110.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 1.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.437 ' N ' ' CG1' ' A' ' 119' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.114 0 CA-C-O 117.009 -1.472 . . . . 1.0 109.973 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.491 ' O ' ' CG2' ' A' ' 119' ' ' VAL . 4.3 mm? . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.318 -0.623 . . . . 1.0 109.318 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.476 ' CD1' ' N ' ' A' ' 66' ' ' PHE . 1.5 m-85 -115.84 158.1 23.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 1.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.463 ' HA ' ' O ' ' A' ' 88' ' ' LEU . 0.0 OUTLIER -129.28 139.71 51.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 1.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.491 ' CB ' ' HB3' ' A' ' 88' ' ' LEU . . . -68.0 138.01 55.55 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 1.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.456 ' CD1' HG22 ' A' ' 117' ' ' THR . 0.6 OUTLIER -91.71 -50.47 5.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 1.0 109.289 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -116.71 177.56 4.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 1.0 111.047 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -71.92 -176.22 1.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 1.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.614 ' CE1' ' O ' ' A' ' 73' ' ' VAL . 0.3 OUTLIER -102.66 161.3 13.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 1.0 110.991 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.614 ' O ' ' CE1' ' A' ' 72' ' ' PHE . 61.6 t -135.16 154.46 36.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 1.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -44.56 164.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 1.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -148.28 -172.5 4.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 1.0 110.004 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -83.89 -129.72 1.73 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.49 1.119 . . . . 1.0 110.99 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 78' ' ' ASN . 12.1 t0 -71.18 59.5 0.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 0.752 . . . . 1.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.496 ' CB ' ' O ' ' A' ' 77' ' ' ASP . 5.5 p30 154.95 118.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 1.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.69 149.21 44.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 1.0 110.363 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.598 ' O ' ' CD1' ' A' ' 72' ' ' PHE . 1.8 tt -136.08 114.96 12.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 1.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.6 m -79.58 104.23 10.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 1.0 109.983 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.479 HD11 ' CD2' ' A' ' 88' ' ' LEU . 0.0 OUTLIER -135.07 157.15 40.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 1.0 109.283 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.5 m -121.77 153.22 38.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 1.0 110.405 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -62.38 -177.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 1.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 84' ' ' LYS . . . 33.49 51.63 0.57 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.46 1.1 . . . . 1.0 110.983 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -145.74 175.29 10.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 0.761 . . . . 1.0 110.37 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.52 84.25 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 1.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.491 ' HB3' ' CB ' ' A' ' 68' ' ' ALA . 0.1 OUTLIER -122.81 97.83 5.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 1.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.3 129.2 41.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 1.0 110.257 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.545 HG12 ' CE1' ' A' ' 93' ' ' TYR . 41.6 t -69.5 135.75 27.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 1.0 109.255 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.6 mt -110.77 -38.19 5.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 1.0 109.343 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -131.81 166.24 23.14 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.466 1.104 . . . . 1.0 110.986 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.545 ' CE1' HG12 ' A' ' 90' ' ' VAL . 9.0 m-85 -129.48 163.93 24.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 0.783 . . . . 1.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.482 ' OD1' ' N ' ' A' ' 97' ' ' GLY . 20.3 p-10 -80.88 -156.85 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 1.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.418 ' N ' ' CG ' ' A' ' 94' ' ' ASN . 0.2 OUTLIER -108.06 -31.96 7.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 1.0 109.616 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.542 ' O ' ' C ' ' A' ' 97' ' ' GLY . 18.8 t-20 -90.59 31.39 1.04 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 1.0 109.246 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.542 ' C ' ' O ' ' A' ' 96' ' ' ASN . . . 24.6 50.83 0.03 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.482 1.114 . . . . 1.0 110.982 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 96' ' ' ASN . 0.4 OUTLIER -122.51 -54.06 1.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 0.743 . . . . 1.0 110.259 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.551 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 16.8 m95 -107.44 160.37 15.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 1.0 108.036 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.513 ' SG ' ' CD2' ' A' ' 93' ' ' TYR . 55.3 m -136.01 139.23 42.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 1.0 108.272 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.402 ' OE2' ' O ' ' A' ' 109' ' ' GLY . 17.2 tp10 -77.18 128.03 33.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 1.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.485 ' HB1' ' CG2' ' A' ' 111' ' ' VAL . . . -117.89 165.13 14.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 1.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -127.55 147.06 50.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 1.0 110.277 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 105' ' ' LYS . 0.9 OUTLIER -104.54 146.85 28.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 1.0 110.383 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 104' ' ' THR . 0.0 OUTLIER -36.87 -38.11 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 1.0 109.285 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -146.86 53.18 1.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 1.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 177.02 -172.66 45.6 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.539 1.149 . . . . 1.0 110.961 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -150.33 176.72 10.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 1.0 110.306 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.436 ' N ' HD13 ' A' ' 80' ' ' LEU . . . 158.3 179.58 33.28 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.472 1.108 . . . . 1.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.414 ' C ' ' CG1' ' A' ' 111' ' ' VAL . 26.1 m95 -97.61 150.69 20.87 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.003 -1.11 . . . . 1.0 108.003 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.485 ' CG2' ' HB1' ' A' ' 102' ' ' ALA . 0.9 OUTLIER -149.59 132.97 8.47 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.155 . . . . 1.0 109.288 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.551 ' HD3' ' CZ3' ' A' ' 99' ' ' TRP . 18.3 Cg_endo -75.02 139.83 24.68 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.459 1.768 . . . . 1.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 116' ' ' ILE . 0.5 OUTLIER -75.6 -9.05 58.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 1.0 110.023 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -72.68 -24.57 61.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 1.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -99.16 -2.48 36.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 1.0 111.014 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.443 HD13 ' CG2' ' A' ' 111' ' ' VAL . 39.8 mt -124.73 150.66 29.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 1.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.456 HG22 ' CD1' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -131.99 157.89 76.99 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 1.0 110.417 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 175.6 11.03 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.535 1.808 . . . . 1.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 65' ' ' LEU . 50.5 t -99.18 4.24 10.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.428 1.08 . . . . 1.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 83.8 p . . . . . 0 C--O 1.251 1.136 0 CA-C-O 117.0 -1.476 . . . . 1.0 110.007 180.0 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.5 mm? . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.345 -0.613 . . . . 1.0 109.345 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.481 ' N ' ' CD1' ' A' ' 66' ' ' PHE . 0.2 OUTLIER -116.45 152.01 34.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 1.0 111.028 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.461 ' HA ' ' O ' ' A' ' 88' ' ' LEU . 0.7 OUTLIER -118.22 146.08 23.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 1.0 109.325 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.468 ' HB1' ' CB ' ' A' ' 88' ' ' LEU . . . -66.24 129.35 39.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 1.0 109.262 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.474 ' CG ' HG23 ' A' ' 117' ' ' THR . 0.2 OUTLIER -75.55 -60.63 2.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 1.0 109.294 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -112.68 163.95 13.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 1.0 110.994 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 17.1 p30 -72.54 174.95 6.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 1.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.579 ' CE1' HG22 ' A' ' 79' ' ' THR . 3.8 t80 -121.31 121.24 37.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 1.0 110.961 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.9 p -135.09 23.87 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 1.0 109.314 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.29 176.02 7.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 1.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.6 t -150.14 171.8 16.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 1.0 109.966 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 77' ' ' ASP . . . 112.37 -140.34 16.18 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.464 1.103 . . . . 1.0 111.004 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 78' ' ' ASN . 1.8 p30 -52.21 -176.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 0.79 . . . . 1.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 77' ' ' ASP . 4.2 m-80 -38.73 129.01 1.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 1.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.579 HG22 ' CE1' ' A' ' 72' ' ' PHE . 0.5 OUTLIER -146.01 169.66 18.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 1.0 110.374 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.544 ' O ' ' CG ' ' A' ' 72' ' ' PHE . 1.1 tt -134.02 116.37 15.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 1.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.9 m -99.04 109.31 22.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 1.0 110.006 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.455 ' HB ' ' CD1' ' A' ' 88' ' ' LEU . 0.2 OUTLIER -136.34 -172.7 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 1.0 109.276 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.487 ' O ' ' CD1' ' A' ' 88' ' ' LEU . 17.0 m -118.1 161.19 20.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 1.0 110.389 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -75.43 172.07 13.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 1.0 109.322 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 40.12 28.09 0.15 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.456 1.098 . . . . 1.0 111.019 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -114.45 -177.38 3.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 0.774 . . . . 1.0 110.309 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.39 82.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 1.0 109.349 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.487 ' CD1' ' O ' ' A' ' 83' ' ' THR . 0.2 OUTLIER -127.44 90.41 3.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 1.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -120.24 127.79 52.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 1.0 110.304 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.583 HG13 ' CE1' ' A' ' 93' ' ' TYR . 24.4 t -71.27 144.13 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 1.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.503 ' CD1' ' OE1' ' A' ' 103' ' ' GLN . 4.3 mt -117.67 -41.62 2.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 1.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -127.01 169.92 18.86 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.436 1.085 . . . . 1.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.606 ' CE2' ' SG ' ' A' ' 100' ' ' CYS . 9.7 m-85 -134.02 175.69 9.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 0.761 . . . . 1.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.614 ' OD1' ' CH2' ' A' ' 110' ' ' TRP . 5.5 m-20 -78.01 -87.96 0.05 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.573 1.171 . . . . 1.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.543 ' CD2' ' O ' ' A' ' 94' ' ' ASN . 0.6 OUTLIER 163.07 38.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 1.0 109.65 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 95' ' ' HIS . 5.1 t30 174.28 39.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 1.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 39.77 62.39 1.43 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.522 1.139 . . . . 1.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -119.37 -69.74 0.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.749 . . . . 1.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.567 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 15.9 m95 -127.71 164.2 22.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 1.0 108.031 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.606 ' SG ' ' CE2' ' A' ' 93' ' ' TYR . 18.8 m -136.33 130.27 32.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 1.0 108.255 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.571 ' HG3' ' CD1' ' A' ' 110' ' ' TRP . 26.9 tt0 -80.03 134.2 36.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 1.0 110.352 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -132.58 159.78 38.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 1.0 109.298 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.503 ' OE1' ' CD1' ' A' ' 91' ' ' LEU . 1.5 mt-30 -123.76 151.36 43.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 1.0 110.241 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.416 HG21 ' N ' ' A' ' 105' ' ' LYS . 1.1 m -104.6 145.16 30.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 1.0 110.44 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.416 ' N ' HG21 ' A' ' 104' ' ' THR . 0.0 OUTLIER -39.9 -33.67 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 1.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.402 ' N ' ' HG2' ' A' ' 105' ' ' LYS . 28.9 m-20 -142.97 57.3 1.41 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 1.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 167.64 179.25 40.26 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.443 1.089 . . . . 1.0 110.987 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -150.19 164.52 35.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 0.749 . . . . 1.0 110.327 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.417 ' N ' HD13 ' A' ' 80' ' ' LEU . . . 166.39 178.1 38.83 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.477 1.111 . . . . 1.0 111.049 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.614 ' CH2' ' OD1' ' A' ' 94' ' ' ASN . 4.4 m95 -106.45 161.77 14.29 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.956 -1.127 . . . . 1.0 107.956 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.477 ' CG2' HD13 ' A' ' 116' ' ' ILE . 3.1 p -159.75 140.95 9.27 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 1.0 109.282 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.567 ' HD3' ' CZ3' ' A' ' 99' ' ' TRP . 18.4 Cg_endo -75.0 147.08 33.44 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 1.0 111.027 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.405 ' OG ' ' SG ' ' A' ' 100' ' ' CYS . 0.2 OUTLIER -72.05 -11.17 60.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 1.0 109.991 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -69.72 -30.95 68.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 1.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -94.84 -1.12 53.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 1.0 110.976 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.477 HD13 ' CG2' ' A' ' 111' ' ' VAL . 11.6 mt -120.16 147.48 23.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 1.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.474 HG23 ' CG ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -134.12 156.09 79.45 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.148 . . . . 1.0 110.422 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 171.04 19.09 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.515 1.798 . . . . 1.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.461 ' CG1' ' O ' ' A' ' 119' ' ' VAL . 35.4 t -98.91 3.92 10.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 1.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 24.7 p . . . . . 0 C--O 1.25 1.094 0 CA-C-O 117.013 -1.47 . . . . 1.0 109.984 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.503 ' O ' ' CG2' ' A' ' 119' ' ' VAL . 2.8 mm? . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.349 -0.612 . . . . 1.0 109.349 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.498 ' CE1' ' HB3' ' A' ' 118' ' ' PRO . 7.4 m-30 -116.52 167.05 11.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 1.0 110.964 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.6 144.48 37.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 1.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.447 ' CB ' ' HB3' ' A' ' 88' ' ' LEU . . . -72.03 129.95 39.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 1.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.474 ' HG ' ' CG2' ' A' ' 117' ' ' THR . 0.8 OUTLIER -91.28 -64.13 1.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.122 . . . . 1.0 109.341 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -100.51 165.25 11.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 1.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -86.53 169.08 13.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 1.078 . . . . 1.0 109.283 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.55 ' CE1' HG22 ' A' ' 79' ' ' THR . 2.6 t80 -117.95 143.37 46.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 1.0 110.943 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.4 ' O ' ' N ' ' A' ' 75' ' ' SER . 11.4 p -116.2 149.98 18.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 1.0 109.254 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.57 90.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 1.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 73' ' ' VAL . 29.0 t -150.13 125.7 10.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 1.0 109.989 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.0 169.19 39.53 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.486 1.117 . . . . 1.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 78' ' ' ASN . 6.9 t70 -84.49 156.96 21.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 1.0 109.312 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 77' ' ' ASP . 4.4 t30 39.9 65.74 0.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 1.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.55 HG22 ' CE1' ' A' ' 72' ' ' PHE . 0.3 OUTLIER -117.81 170.0 9.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 1.0 110.368 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.487 ' CD2' HD11 ' A' ' 82' ' ' ILE . 1.4 tt -137.12 124.67 22.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 1.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.411 ' N ' HD21 ' A' ' 80' ' ' LEU . 50.9 m -94.96 115.12 27.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 1.0 109.984 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.487 HD11 ' CD2' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -124.42 174.5 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 1.0 109.296 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -114.75 149.97 36.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 1.0 110.374 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -60.9 179.19 0.19 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 1.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 84' ' ' LYS . . . 34.57 42.27 0.3 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 1.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -122.33 154.29 37.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 0.748 . . . . 1.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.05 92.61 0.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 1.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.474 ' CD1' HG13 ' A' ' 82' ' ' ILE . 9.9 tt -136.15 114.72 11.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 1.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.15 137.71 51.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 1.0 110.323 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.4 t -69.95 139.72 19.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 1.0 109.324 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -108.47 -38.61 5.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 1.0 109.242 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 101' ' ' GLU . . . -137.43 156.05 23.3 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.464 1.102 . . . . 1.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -124.29 177.85 5.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 0.751 . . . . 1.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.654 ' ND2' ' CZ3' ' A' ' 110' ' ' TRP . 1.3 m-80 -72.43 177.97 4.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 1.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -86.06 -58.44 2.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 1.0 109.631 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -65.11 -55.89 16.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 1.0 109.283 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 127.06 64.37 0.15 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.522 1.139 . . . . 1.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -120.38 -51.76 2.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 0.764 . . . . 1.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.542 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 7.8 m95 -125.47 175.02 7.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.101 . . . . 1.0 108.033 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.406 ' O ' ' O ' ' A' ' 111' ' ' VAL . 1.4 p -136.05 143.65 44.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 1.0 108.297 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 92' ' ' GLY . 22.3 tt0 -91.99 136.98 32.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 1.0 110.313 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -133.43 153.38 51.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 1.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.427 ' CB ' ' HG3' ' A' ' 108' ' ' GLN . 16.6 tt0 -122.1 140.15 52.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 1.0 110.342 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 107' ' ' GLY . 48.7 p -124.08 167.32 14.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 1.0 110.405 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.41 -21.04 60.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 1.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -83.43 -20.25 34.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 1.0 109.346 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 104' ' ' THR . . . 162.06 -143.06 8.45 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 1.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.427 ' HG3' ' CB ' ' A' ' 103' ' ' GLN . 0.9 OUTLIER -150.77 160.62 43.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 0.781 . . . . 1.0 110.29 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.426 ' N ' HD11 ' A' ' 80' ' ' LEU . . . 178.41 -172.81 45.26 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.503 1.127 . . . . 1.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.654 ' CZ3' ' ND2' ' A' ' 94' ' ' ASN . 25.9 m95 -89.68 165.44 14.21 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.998 -1.112 . . . . 1.0 107.998 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.406 ' O ' ' O ' ' A' ' 100' ' ' CYS . 6.4 p -160.78 134.27 4.86 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 1.0 109.312 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.542 ' HD3' ' CZ3' ' A' ' 99' ' ' TRP . 18.4 Cg_endo -74.99 146.57 32.87 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.469 1.773 . . . . 1.0 111.055 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.444 ' O ' ' O ' ' A' ' 116' ' ' ILE . 5.8 t -71.38 -27.13 63.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 1.0 109.994 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -72.29 -4.13 27.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 1.0 109.291 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -111.81 -18.6 12.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 1.0 111.002 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.444 ' O ' ' O ' ' A' ' 113' ' ' SER . 4.8 mm -125.77 141.78 44.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 1.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.474 ' CG2' ' HG ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -126.04 158.32 66.49 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 1.0 110.373 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.498 ' HB3' ' CE1' ' A' ' 66' ' ' PHE . 18.2 Cg_endo -75.0 178.41 7.31 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.528 1.804 . . . . 1.0 111.055 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 65' ' ' LEU . 88.8 t -89.81 -110.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 1.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.463 ' N ' ' CG1' ' A' ' 119' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.094 0 CA-C-O 116.99 -1.481 . . . . 1.0 109.974 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.416 HD11 ' N ' ' A' ' 66' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.309 -0.626 . . . . 1.0 109.309 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.416 ' N ' HD11 ' A' ' 65' ' ' LEU . 0.7 OUTLIER -108.99 155.64 20.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 1.0 110.951 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -120.21 158.26 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 1.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.464 ' CB ' HD21 ' A' ' 88' ' ' LEU . . . -69.85 128.47 36.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 1.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.491 ' HB2' ' CG2' ' A' ' 117' ' ' THR . 13.8 tp -111.37 -81.54 0.58 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 1.0 109.347 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.453 ' N ' ' HG ' ' A' ' 69' ' ' LEU . 12.0 m-85 -70.68 163.02 27.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 1.0 111.026 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.68 169.07 11.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 1.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.563 ' CE1' HG22 ' A' ' 79' ' ' THR . 15.0 t80 -125.75 167.2 15.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 1.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.483 ' N ' ' CD1' ' A' ' 72' ' ' PHE . 8.8 p -125.98 145.41 33.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 1.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.94 144.49 18.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 1.0 109.327 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.5 m -131.51 177.31 7.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 1.0 110.005 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -104.96 55.61 0.57 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.445 1.09 . . . . 1.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 79' ' ' THR . 0.7 OUTLIER 174.7 -172.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 0.769 . . . . 1.0 109.277 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -56.01 88.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 1.143 . . . . 1.0 109.331 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.563 HG22 ' CE1' ' A' ' 72' ' ' PHE . 0.3 OUTLIER -132.77 170.37 15.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 1.0 110.432 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.462 ' N ' ' CG2' ' A' ' 79' ' ' THR . 1.2 tt -134.81 116.7 15.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 1.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.3 m -98.01 110.6 23.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 1.0 109.991 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.482 HG12 ' CD1' ' A' ' 88' ' ' LEU . 0.3 OUTLIER -131.61 -174.88 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 1.0 109.319 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.7 m -125.66 157.84 36.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 1.0 110.428 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.515 ' O ' ' C ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -57.25 -179.78 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 1.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.515 ' C ' ' O ' ' A' ' 84' ' ' LYS . . . 27.99 54.2 0.11 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.495 1.122 . . . . 1.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -121.23 162.0 20.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 0.782 . . . . 1.0 110.294 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.71 82.83 8.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 1.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.482 ' CD1' HG12 ' A' ' 82' ' ' ILE . 1.4 tt -144.71 123.07 12.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 1.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 31.2 mtm-85 -135.55 147.76 48.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 1.0 110.306 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.458 ' CG1' ' HB3' ' A' ' 100' ' ' CYS . 9.4 t -69.82 127.17 31.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 1.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.412 ' HB2' ' NE2' ' A' ' 103' ' ' GLN . 3.3 mt -105.91 -31.05 8.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 1.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -136.17 168.03 24.2 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 1.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.573 ' N ' ' CD1' ' A' ' 93' ' ' TYR . 0.1 OUTLIER -131.67 161.97 31.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 0.774 . . . . 1.0 111.033 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.471 ' O ' ' CB ' ' A' ' 95' ' ' HIS . 2.8 p30 -77.68 -18.13 56.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.153 . . . . 1.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.471 ' CB ' ' O ' ' A' ' 94' ' ' ASN . 0.5 OUTLIER 85.23 80.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 1.0 109.575 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 170.94 -48.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 1.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 111.61 38.36 1.46 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.54 1.15 . . . . 1.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -120.32 -62.35 1.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 0.781 . . . . 1.0 110.307 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.447 ' CE2' ' HB3' ' A' ' 112' ' ' PRO . 16.3 m95 -125.49 154.57 41.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 1.0 107.969 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.458 ' HB3' ' CG1' ' A' ' 90' ' ' VAL . 97.8 m -135.33 143.87 46.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 1.0 108.256 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -84.17 134.04 34.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 1.0 110.328 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -135.13 168.06 19.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 1.0 109.334 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.412 ' NE2' ' HB2' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -111.71 162.45 15.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 1.0 110.327 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.443 ' HB ' ' CA ' ' A' ' 107' ' ' GLY . 3.3 m -104.88 157.48 17.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 1.0 110.4 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 104' ' ' THR . 1.5 ttpt -39.75 -37.74 0.57 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 1.0 109.252 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -150.29 34.93 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 1.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.443 ' CA ' ' HB ' ' A' ' 104' ' ' THR . . . -159.9 -156.32 8.09 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.137 . . . . 1.0 110.985 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -151.28 176.5 11.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 0.774 . . . . 1.0 110.295 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.427 ' CA ' HD13 ' A' ' 80' ' ' LEU . . . 155.36 -174.7 33.46 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.105 . . . . 1.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 21.7 m95 -97.97 167.17 11.07 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.005 -1.109 . . . . 1.0 108.005 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.2 p -159.19 119.9 1.79 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 1.0 109.339 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.548 ' HG2' ' CD1' ' A' ' 115' ' ' TYR . 18.2 Cg_endo -75.01 145.15 31.05 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.527 1.804 . . . . 1.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 116' ' ' ILE . 30.4 t -69.74 -14.93 63.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 1.0 109.984 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -71.56 -22.39 61.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 1.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.548 ' CD1' ' HG2' ' A' ' 112' ' ' PRO . 29.6 m-85 -106.39 -2.36 22.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 1.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.413 ' CD1' ' HA ' ' A' ' 68' ' ' ALA . 7.3 mm -124.81 142.2 42.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 1.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.491 ' CG2' ' HB2' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -123.66 159.44 55.62 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 1.0 110.36 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 170.72 19.8 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.446 1.761 . . . . 1.0 111.014 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 93.0 t -83.33 4.66 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 1.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.1 p . . . . . 0 C--O 1.251 1.135 0 CA-C-O 116.987 -1.482 . . . . 1.0 109.99 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.48 ' O ' ' CG2' ' A' ' 119' ' ' VAL . 4.3 mm? . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.303 -0.628 . . . . 1.0 109.303 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.567 ' CD1' ' HB ' ' A' ' 90' ' ' VAL . 0.9 OUTLIER -113.08 156.97 22.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 1.0 110.962 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -121.47 141.37 42.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 1.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.456 ' CB ' HD21 ' A' ' 88' ' ' LEU . . . -70.58 139.9 51.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 1.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.479 ' HG ' ' CG2' ' A' ' 117' ' ' THR . 1.7 mt -107.77 -74.32 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 1.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -94.24 166.28 12.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 1.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.1 p-10 -91.73 173.88 7.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 1.0 109.262 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -138.41 139.84 39.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 1.0 111.03 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.8 p -125.33 101.07 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 1.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.38 -174.85 2.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 1.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 90.4 p -144.98 62.77 1.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 1.0 110.003 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 54.37 90.1 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.505 1.128 . . . . 1.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -168.46 -179.07 3.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 1.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -63.88 -13.08 42.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 1.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.403 ' CG2' ' N ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -69.82 165.64 21.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 1.0 110.423 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.515 ' CD1' ' C ' ' A' ' 108' ' ' GLN . 3.7 tt -135.82 117.64 15.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 1.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.488 ' O ' ' CD2' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -73.66 178.84 4.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 1.0 109.959 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.558 ' CD1' ' CD1' ' A' ' 88' ' ' LEU . 0.1 OUTLIER -152.05 162.34 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 1.0 109.34 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.3 m -104.83 152.09 23.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 1.0 110.393 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.472 ' O ' ' C ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -66.33 174.72 2.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 1.0 109.289 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.472 ' C ' ' O ' ' A' ' 84' ' ' LYS . . . 32.07 41.24 0.09 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.513 1.133 . . . . 1.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 84' ' ' LYS . 11.0 tp10 -111.07 151.34 28.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 1.0 110.254 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.44 86.42 6.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 1.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.558 ' CD1' ' CD1' ' A' ' 82' ' ' ILE . 0.4 OUTLIER -121.19 127.81 51.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 1.0 109.27 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 10.6 mtp85 -135.44 137.35 42.14 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.462 1.101 . . . . 1.0 110.307 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.567 ' HB ' ' CD1' ' A' ' 66' ' ' PHE . 98.4 t -78.2 111.53 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 1.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.1 mt -113.23 -7.94 13.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 1.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -123.2 154.21 17.18 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.504 1.128 . . . . 1.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -143.69 146.82 33.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 0.783 . . . . 1.0 110.977 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.448 ' OD1' ' N ' ' A' ' 96' ' ' ASN . 6.1 p30 -69.91 -161.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.084 . . . . 1.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -120.34 66.7 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 1.0 109.597 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.448 ' N ' ' OD1' ' A' ' 94' ' ' ASN . 8.1 t30 172.17 -63.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 1.0 109.33 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 132.04 45.28 0.14 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.523 1.139 . . . . 1.0 110.958 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -109.96 -48.62 3.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 0.76 . . . . 1.0 110.262 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.543 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 10.1 m95 -136.32 166.58 23.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 1.0 108.018 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.41 ' O ' HG13 ' A' ' 111' ' ' VAL . 33.8 m -136.36 142.98 43.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 1.0 108.273 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -85.19 136.12 33.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 1.0 110.297 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.469 ' CB ' HG12 ' A' ' 111' ' ' VAL . . . -135.2 169.95 16.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 1.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -106.68 150.68 26.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 1.0 110.329 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 105' ' ' LYS . 1.7 m -114.17 162.92 15.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 1.0 110.428 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 104' ' ' THR . 8.4 mtmt -37.32 -58.29 0.84 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 1.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -137.11 49.34 2.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 1.0 109.347 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -174.12 176.54 46.54 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.55 1.156 . . . . 1.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.515 ' C ' ' CD1' ' A' ' 80' ' ' LEU . 3.5 tt0 -153.28 136.54 15.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 0.73 . . . . 1.0 110.296 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.441 ' N ' HD11 ' A' ' 80' ' ' LEU . . . -165.94 -161.01 14.02 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.557 1.161 . . . . 1.0 111.018 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 39.3 m95 -83.37 160.24 21.67 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.984 -1.117 . . . . 1.0 107.984 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.469 HG12 ' CB ' ' A' ' 102' ' ' ALA . 3.6 p -160.06 126.25 2.42 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 1.0 109.352 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.543 ' HD3' ' CZ3' ' A' ' 99' ' ' TRP . 18.3 Cg_endo -74.91 140.47 25.75 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.475 1.777 . . . . 1.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.424 ' O ' ' O ' ' A' ' 116' ' ' ILE . 43.2 t -74.88 -8.36 56.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 1.0 110.002 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -70.43 -27.68 64.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 1.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -98.49 -5.25 32.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 1.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.424 ' O ' ' O ' ' A' ' 113' ' ' SER . 13.3 mt -121.97 163.64 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 1.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.479 ' CG2' ' HG ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -141.96 154.78 65.58 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.429 1.081 . . . . 1.0 110.398 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 177.96 7.87 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.445 1.761 . . . . 1.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.48 ' CG2' ' O ' ' A' ' 65' ' ' LEU . 74.9 t -105.32 4.46 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 1.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 42.6 m . . . . . 0 C--O 1.249 1.062 0 CA-C-O 117.06 -1.448 . . . . 1.0 109.966 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.32 -0.622 . . . . 1.0 109.32 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.486 ' CD1' ' N ' ' A' ' 66' ' ' PHE . 0.1 OUTLIER -121.64 152.86 38.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 1.0 111.004 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -121.36 153.03 25.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 1.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.508 ' CB ' ' CD2' ' A' ' 88' ' ' LEU . . . -74.77 98.05 3.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 1.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.473 ' CD1' HG22 ' A' ' 117' ' ' THR . 0.1 OUTLIER -84.94 -41.0 16.33 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 1.0 109.265 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -97.49 163.08 13.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 1.0 110.985 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.76 154.48 17.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 1.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.616 ' CZ ' ' CB ' ' A' ' 74' ' ' ALA . 8.5 t80 -126.85 122.01 33.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 1.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.9 t -134.56 44.06 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 1.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.616 ' CB ' ' CZ ' ' A' ' 72' ' ' PHE . . . -75.2 174.27 9.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 1.0 109.297 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 59.5 p -148.61 121.5 8.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 1.0 109.959 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 172.41 -147.72 10.13 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.512 1.132 . . . . 1.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 78' ' ' ASN . 3.3 m-20 -105.35 152.94 22.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 0.752 . . . . 1.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 77' ' ' ASP . 7.3 m120 39.97 69.52 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 1.0 109.31 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.463 ' CG2' ' N ' ' A' ' 80' ' ' LEU . 0.5 OUTLIER -127.4 170.0 13.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 1.0 110.401 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.463 ' N ' ' CG2' ' A' ' 79' ' ' THR . 1.4 tt -134.9 116.67 15.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 1.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.0 m -106.88 112.49 25.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 1.0 110.008 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.25 -178.42 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 1.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.5 m -121.84 159.26 27.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 1.0 110.397 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.484 ' O ' ' C ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -62.21 -176.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 1.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.484 ' C ' ' O ' ' A' ' 84' ' ' LYS . . . 30.56 43.97 0.08 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.484 1.115 . . . . 1.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -118.8 156.75 28.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 0.739 . . . . 1.0 110.285 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.52 84.2 7.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 1.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.508 ' CD2' ' CB ' ' A' ' 68' ' ' ALA . 0.1 OUTLIER -141.36 122.25 14.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 1.0 109.308 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.462 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -132.85 153.25 51.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 1.0 110.342 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 77.3 t -69.93 135.28 28.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 1.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.37 -43.14 5.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 1.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -146.6 163.13 28.53 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.509 1.13 . . . . 1.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -121.29 155.74 34.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.767 . . . . 1.0 111.03 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 95' ' ' HIS . 0.4 OUTLIER -72.66 175.96 5.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 1.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.472 ' O ' ' CB ' ' A' ' 96' ' ' ASN . 36.0 t-80 -73.27 58.17 0.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 1.0 109.603 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 95' ' ' HIS . 0.9 OUTLIER 157.88 177.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.128 . . . . 1.0 109.321 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -99.77 63.75 0.66 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.468 1.105 . . . . 1.0 110.969 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -120.72 -63.43 1.35 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 0.759 . . . . 1.0 110.28 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.467 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 14.6 m95 -135.24 159.92 40.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 1.0 107.98 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 14.3 m -136.11 142.11 44.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 1.0 108.293 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -79.1 132.69 36.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 1.0 110.307 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.429 ' CB ' HG12 ' A' ' 111' ' ' VAL . . . -132.25 163.88 27.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 1.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.476 ' CG ' ' HG3' ' A' ' 108' ' ' GLN . 34.3 mt-30 -126.2 161.78 26.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 1.0 110.252 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 107' ' ' GLY . 4.5 p -134.76 166.82 22.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 1.0 110.427 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.469 ' C ' ' O ' ' A' ' 104' ' ' THR . 4.4 tptt -35.65 -60.37 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 1.0 109.342 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -136.9 56.77 1.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 1.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.489 ' O ' ' N ' ' A' ' 104' ' ' THR . . . -176.29 148.64 9.28 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.492 1.12 . . . . 1.0 111.053 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.476 ' HG3' ' CG ' ' A' ' 103' ' ' GLN . 44.5 tt0 -150.75 151.35 32.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 0.74 . . . . 1.0 110.329 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 172.51 -160.21 31.33 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.501 1.126 . . . . 1.0 111.016 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 29.1 m95 -84.15 146.08 28.05 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.0 -1.111 . . . . 1.0 108.0 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.429 HG12 ' CB ' ' A' ' 102' ' ' ALA . 1.2 p -148.21 124.96 5.47 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 1.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.556 ' HG2' ' CD1' ' A' ' 115' ' ' TYR . 18.3 Cg_endo -75.02 144.61 30.37 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.465 1.771 . . . . 1.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.439 ' O ' ' O ' ' A' ' 116' ' ' ILE . 0.1 OUTLIER -75.0 -14.27 60.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 1.0 109.993 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -74.08 -14.99 61.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 1.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.556 ' CD1' ' HG2' ' A' ' 112' ' ' PRO . 13.7 m-85 -104.05 -10.79 17.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 1.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.439 ' O ' ' O ' ' A' ' 113' ' ' SER . 13.1 mt -124.04 143.29 37.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 1.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.473 HG22 ' CD1' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -131.86 158.66 74.84 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 1.0 110.409 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 168.19 25.39 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.51 1.795 . . . . 1.0 111.038 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.451 ' CG1' ' N ' ' A' ' 120' ' ' SER . 87.6 t -76.66 -110.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 1.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.451 ' N ' ' CG1' ' A' ' 119' ' ' VAL . 26.2 m . . . . . 0 C--O 1.251 1.136 0 CA-C-O 116.934 -1.508 . . . . 1.0 109.99 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.424 HD23 ' N ' ' A' ' 65' ' ' LEU . 1.8 mm? -98.47 150.2 21.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 109.33 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' A' ' 66' ' ' PHE . 0.3 OUTLIER -115.9 153.75 30.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 1.0 110.973 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.475 ' O ' ' CG2' ' A' ' 116' ' ' ILE . 0.0 OUTLIER -118.35 162.51 16.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 1.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.471 ' CB ' ' HB3' ' A' ' 88' ' ' LEU . . . -68.98 132.16 46.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 1.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.484 ' HB2' ' CG2' ' A' ' 117' ' ' THR . 10.4 tp -113.13 -79.3 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 1.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.43 ' N ' ' HG ' ' A' ' 69' ' ' LEU . 10.9 m-85 -79.93 163.85 23.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 1.0 110.99 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -87.58 176.73 7.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 1.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.576 ' CE1' HG22 ' A' ' 79' ' ' THR . 6.6 t80 -136.46 167.28 21.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 1.0 110.974 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.418 ' N ' ' CD1' ' A' ' 72' ' ' PHE . 88.6 t -127.21 143.22 41.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 1.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.421 ' N ' ' HG ' ' A' ' 81' ' ' SER . . . -53.54 158.55 1.76 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.54 1.15 . . . . 1.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.9 t -149.1 -57.95 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 1.0 110.015 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -164.35 -155.26 8.26 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.505 1.128 . . . . 1.0 110.978 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.4 ' O ' ' CG ' ' A' ' 78' ' ' ASN . 4.9 t70 -93.6 60.07 2.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 0.793 . . . . 1.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.4 ' CG ' ' O ' ' A' ' 77' ' ' ASP . 15.7 m-80 -163.47 -43.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 1.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.576 HG22 ' CE1' ' A' ' 72' ' ' PHE . 0.3 OUTLIER -69.63 173.88 5.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 1.0 110.374 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.494 ' CD2' ' CG2' ' A' ' 104' ' ' THR . 1.6 tt -133.96 117.54 16.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 1.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.421 ' HG ' ' N ' ' A' ' 74' ' ' ALA . 67.1 m -93.63 111.93 23.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 1.0 109.974 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.46 HG12 ' CD1' ' A' ' 88' ' ' LEU . 0.2 OUTLIER -130.62 -177.72 2.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.12 . . . . 1.0 109.358 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.0 m -106.58 170.13 8.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 1.0 110.378 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -72.55 161.58 30.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 1.0 109.24 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 37.66 30.12 0.06 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 1.0 110.982 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 84' ' ' LYS . 1.5 tt0 -83.17 160.64 21.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 0.755 . . . . 1.0 110.293 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.0 84.42 6.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 1.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.49 ' CD2' ' C ' ' A' ' 88' ' ' LEU . 0.6 OUTLIER -140.52 113.82 8.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 1.0 109.296 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 24.3 ttt-85 -118.07 146.29 44.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 1.0 110.303 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 89.3 t -70.64 134.77 29.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 1.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.7 mt -107.26 -40.3 5.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 1.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -138.14 166.79 25.12 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.519 1.137 . . . . 1.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -120.28 174.94 6.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.766 . . . . 1.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -92.56 21.86 5.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 1.0 109.256 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 69.26 36.73 2.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 1.0 109.597 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -176.99 -175.38 0.59 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 1.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -106.26 54.7 0.57 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.486 1.116 . . . . 1.0 110.965 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -120.31 -66.9 1.02 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 0.806 . . . . 1.0 110.315 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.558 ' CZ2' ' HB3' ' A' ' 112' ' ' PRO . 19.8 m95 -135.3 156.27 49.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 1.0 108.006 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 4.4 m -136.04 140.99 44.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 1.0 108.286 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.19 134.87 35.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 1.0 110.332 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.467 ' HB1' ' CG2' ' A' ' 111' ' ' VAL . . . -134.3 163.11 30.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 1.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -115.87 161.69 18.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 1.0 110.28 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.494 ' CG2' ' CD2' ' A' ' 80' ' ' LEU . 4.2 p -135.46 145.97 47.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 1.0 110.395 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.56 -21.87 29.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 1.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -86.77 -40.11 15.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 1.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 104' ' ' THR . . . -171.64 -131.3 1.33 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.481 1.113 . . . . 1.0 110.962 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -148.71 178.69 8.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 0.783 . . . . 1.0 110.346 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.421 ' N ' ' CD1' ' A' ' 80' ' ' LEU . . . 158.1 -177.48 34.8 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.554 1.159 . . . . 1.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 26.6 m95 -88.46 155.33 19.73 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.985 -1.117 . . . . 1.0 107.985 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.572 ' CG2' ' CD1' ' A' ' 116' ' ' ILE . 1.0 OUTLIER -147.39 123.5 5.46 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 1.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.565 ' HG2' ' CD1' ' A' ' 115' ' ' TYR . 18.3 Cg_endo -75.04 145.52 31.41 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.451 1.764 . . . . 1.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.425 ' O ' ' O ' ' A' ' 116' ' ' ILE . 0.3 OUTLIER -68.88 -19.22 64.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 1.0 109.994 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.37 -11.33 60.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 1.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.565 ' CD1' ' HG2' ' A' ' 112' ' ' PRO . 5.4 m-85 -105.63 -10.11 16.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 1.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.572 ' CD1' ' CG2' ' A' ' 111' ' ' VAL . 3.6 mt -127.82 143.17 41.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 1.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.484 ' CG2' ' HB2' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -123.28 160.11 51.63 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 1.0 110.373 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 168.82 23.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.505 1.792 . . . . 1.0 111.025 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 95.8 t -83.58 4.74 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 1.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 9.3 t . . . . . 0 C--O 1.249 1.069 0 CA-C-O 116.975 -1.488 . . . . 1.0 110.02 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.418 ' N ' HD21 ' A' ' 65' ' ' LEU . 4.2 mm? -70.0 178.44 2.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.413 ' CD1' ' N ' ' A' ' 66' ' ' PHE . 0.1 OUTLIER -119.88 151.35 39.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 1.0 111.044 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 117' ' ' THR . 0.2 OUTLIER -111.39 -175.97 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 1.0 109.292 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 88' ' ' LEU . . . -68.14 133.35 48.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 1.0 109.34 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.465 ' HB2' ' CG2' ' A' ' 117' ' ' THR . 14.9 tp -101.62 -81.66 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 1.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.437 ' N ' ' HG ' ' A' ' 69' ' ' LEU . 9.2 m-85 -99.26 163.95 12.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 1.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.4 168.02 20.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.16 . . . . 1.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.618 ' CE2' ' O ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -104.78 153.17 21.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 1.0 110.984 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.426 HG11 ' N ' ' A' ' 74' ' ' ALA . 84.1 t -119.1 139.98 44.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 1.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.426 ' N ' HG11 ' A' ' 73' ' ' VAL . . . -45.58 147.71 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 1.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.473 ' CB ' HG23 ' A' ' 79' ' ' THR . 0.3 OUTLIER -149.0 170.02 19.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 1.0 109.965 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 77' ' ' ASP . . . -96.17 -82.9 1.64 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.545 1.153 . . . . 1.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 78' ' ' ASN . 10.3 p-10 -46.04 170.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 0.765 . . . . 1.0 109.318 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 77' ' ' ASP . 7.8 m-80 -39.3 110.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 1.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.521 ' CG2' ' N ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -142.54 174.02 11.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 1.0 110.395 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.618 ' O ' ' CE2' ' A' ' 72' ' ' PHE . 1.0 OUTLIER -132.12 117.35 18.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 1.0 109.31 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.1 m -97.68 109.37 22.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 1.0 110.028 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.509 ' CG1' HD21 ' A' ' 80' ' ' LEU . 1.2 mt -136.44 175.02 11.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 1.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.2 m -123.61 157.93 32.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 1.0 110.376 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.491 ' HG2' ' N ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -68.39 -177.36 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 1.0 109.324 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.491 ' N ' ' HG2' ' A' ' 84' ' ' LYS . . . 34.93 44.01 0.46 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.499 1.124 . . . . 1.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.44 ' OE2' ' NZ ' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -136.46 175.07 9.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 0.738 . . . . 1.0 110.318 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -69.29 70.3 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 1.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.569 ' CD2' ' C ' ' A' ' 88' ' ' LEU . 0.2 OUTLIER -128.36 102.09 6.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 1.0 109.242 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 14.5 mtt-85 -136.59 141.36 43.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 1.0 110.288 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.489 ' CG2' HD11 ' A' ' 116' ' ' ILE . 7.3 t -68.09 114.91 5.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 1.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.4 mt -115.72 4.48 14.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 1.0 109.259 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -148.44 155.88 26.61 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.557 1.16 . . . . 1.0 111.016 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -134.53 156.55 48.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 1.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.621 ' ND2' ' CZ3' ' A' ' 110' ' ' TRP . 0.6 OUTLIER -69.63 -74.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 1.0 109.264 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.524 ' CG ' ' O ' ' A' ' 94' ' ' ASN . 1.0 OUTLIER 165.69 -67.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 1.0 109.635 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.463 ' H ' ' ND2' ' A' ' 96' ' ' ASN . 1.6 p30 -65.81 -52.36 51.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 1.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 134.26 61.01 0.07 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.447 1.092 . . . . 1.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -117.35 -61.01 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 1.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.587 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 9.1 m95 -131.6 172.8 11.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 1.0 107.998 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 82.2 m -135.71 140.03 44.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 1.0 108.301 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -76.42 133.83 39.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 1.0 110.263 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.456 ' HB1' ' CG1' ' A' ' 111' ' ' VAL . . . -120.43 162.97 18.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.157 . . . . 1.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.441 ' CG ' ' HG3' ' A' ' 108' ' ' GLN . 1.8 mt-30 -134.45 143.1 47.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.08 . . . . 1.0 110.312 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.538 ' HG1' ' N ' ' A' ' 107' ' ' GLY . 0.7 OUTLIER -104.71 156.88 17.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 1.0 110.398 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.44 ' NZ ' ' OE2' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -37.97 -45.62 0.9 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 1.0 109.292 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -141.96 65.84 1.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 1.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.538 ' N ' ' HG1' ' A' ' 104' ' ' THR . . . 167.13 -172.33 42.15 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.494 1.121 . . . . 1.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.441 ' HG3' ' CG ' ' A' ' 103' ' ' GLN . 0.8 OUTLIER -151.96 -176.44 5.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 0.767 . . . . 1.0 110.323 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.501 ' CA ' HD13 ' A' ' 80' ' ' LEU . . . 160.01 179.91 35.11 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 1.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.621 ' CZ3' ' ND2' ' A' ' 94' ' ' ASN . 12.4 m95 -104.38 151.01 24.0 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.021 -1.103 . . . . 1.0 108.021 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.474 ' CG1' ' C ' ' A' ' 110' ' ' TRP . 0.9 OUTLIER -152.88 145.65 17.4 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 1.0 109.297 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.587 ' HD3' ' CZ3' ' A' ' 99' ' ' TRP . 18.2 Cg_endo -75.01 161.49 38.67 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.529 1.805 . . . . 1.0 110.987 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.455 ' HA ' ' CD1' ' A' ' 116' ' ' ILE . 0.1 OUTLIER -75.33 -29.65 60.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 1.0 110.018 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -80.29 4.3 18.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 1.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.587 ' CD1' ' HG2' ' A' ' 112' ' ' PRO . 0.0 OUTLIER -96.71 -12.48 23.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 1.0 111.014 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.489 HD11 ' CG2' ' A' ' 90' ' ' VAL . 0.1 OUTLIER -121.83 171.52 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 1.0 109.312 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.465 ' CG2' ' HB2' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -134.34 148.54 68.1 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 1.0 110.386 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 167.16 27.67 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.479 1.778 . . . . 1.0 111.026 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 79.3 t -97.89 4.55 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 1.0 109.334 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 117.014 -1.47 . . . . 1.0 109.982 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 1.312 ' HB3' ' CZ ' ' A' ' 66' ' ' PHE . 47.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.461 ' O ' ' CG2' ' A' ' 119' ' ' VAL . 3.0 mm? -108.47 101.41 10.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 1.312 ' CZ ' ' HB3' ' A' ' 64' ' ' SER . 3.2 m-85 -116.31 160.94 19.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 1.0 110.955 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -129.67 141.88 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 1.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.468 ' CB ' ' HB3' ' A' ' 88' ' ' LEU . . . -69.76 134.2 48.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 1.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.489 HD13 ' CG2' ' A' ' 117' ' ' THR . 0.8 OUTLIER -90.44 -57.11 2.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 1.0 109.252 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -103.76 166.74 10.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 1.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -78.3 -173.99 3.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 1.0 109.284 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.575 ' CE1' ' HA ' ' A' ' 81' ' ' SER . 0.0 OUTLIER -102.53 158.0 16.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 1.0 111.013 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 75' ' ' SER . 53.4 t -135.35 110.43 11.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.493 1.121 . . . . 1.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -48.07 94.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 1.0 109.325 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 73' ' ' VAL . 0.2 OUTLIER -150.5 103.82 3.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 1.0 110.011 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 128.66 173.94 13.58 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.493 1.121 . . . . 1.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -112.8 52.01 0.8 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 1.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 168.01 41.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 1.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.49 ' CG2' ' N ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -104.55 176.84 5.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 1.0 110.377 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.49 ' N ' ' CG2' ' A' ' 79' ' ' THR . 3.7 tt -135.85 119.94 17.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 1.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.575 ' HA ' ' CE1' ' A' ' 72' ' ' PHE . 20.1 m -71.88 110.52 6.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 1.0 109.999 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.95 157.69 42.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 1.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -113.05 148.6 34.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 1.0 110.455 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -58.07 -175.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 1.0 109.292 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 84' ' ' LYS . . . 34.09 38.73 0.11 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 1.0 111.037 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.401 ' HG2' ' NZ ' ' A' ' 105' ' ' LYS . 2.6 tt0 -126.25 174.1 8.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 1.0 110.249 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.402 ' HE2' ' NH2' ' A' ' 89' ' ' ARG . 0.1 OUTLIER -69.11 80.83 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 1.0 109.328 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.468 ' HB3' ' CB ' ' A' ' 68' ' ' ALA . 2.7 tt -129.26 102.5 6.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 1.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.402 ' NH2' ' HE2' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -135.08 142.05 46.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 1.0 110.336 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.488 ' HB ' ' CD1' ' A' ' 66' ' ' PHE . 69.9 t -69.56 142.77 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 1.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.5 mt -110.9 -45.99 3.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 1.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -148.2 163.68 28.93 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.537 1.148 . . . . 1.0 110.946 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.463 ' N ' ' CD1' ' A' ' 93' ' ' TYR . 0.2 OUTLIER -119.0 146.78 44.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 0.775 . . . . 1.0 110.988 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 95' ' ' HIS . 0.5 OUTLIER -71.05 171.68 10.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 1.0 109.287 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.454 ' N ' ' OD1' ' A' ' 94' ' ' ASN . 17.8 m170 -38.35 -80.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 1.0 109.646 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.449 ' ND2' ' OE2' ' A' ' 98' ' ' GLU . 3.5 p-10 -69.92 178.39 2.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 1.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -102.09 68.62 0.38 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.115 . . . . 1.0 111.016 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.449 ' OE2' ' ND2' ' A' ' 96' ' ' ASN . 23.3 mt-10 -119.92 -59.35 1.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 0.801 . . . . 1.0 110.267 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.451 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 19.4 m95 -128.26 157.56 40.57 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.018 -1.104 . . . . 1.0 108.018 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 25.4 m -135.45 143.36 45.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 1.0 108.316 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -79.87 131.3 35.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 1.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.465 ' HB1' ' CG1' ' A' ' 111' ' ' VAL . . . -119.46 160.59 22.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 1.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -117.85 138.48 52.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 1.0 110.25 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 105' ' ' LYS . 23.4 m -104.52 150.84 24.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 1.0 110.417 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 104' ' ' THR . 0.0 OUTLIER -39.05 -44.85 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 1.0 109.296 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -142.1 62.24 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 1.0 109.245 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 164.25 174.49 34.09 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.46 1.1 . . . . 1.0 110.975 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.466 ' C ' ' CD1' ' A' ' 80' ' ' LEU . 2.6 mt-30 -151.52 149.49 29.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.761 . . . . 1.0 110.315 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -171.58 -169.56 34.59 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.499 1.124 . . . . 1.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 41.8 m95 -91.12 153.65 19.92 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.995 -1.113 . . . . 1.0 107.995 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.465 ' CG1' ' HB1' ' A' ' 102' ' ' ALA . 2.1 p -153.46 122.31 3.16 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 1.0 109.339 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.451 ' HD3' ' CZ3' ' A' ' 99' ' ' TRP . 18.4 Cg_endo -74.97 143.3 29.01 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.476 1.777 . . . . 1.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.45 ' O ' ' O ' ' A' ' 116' ' ' ILE . 0.4 OUTLIER -70.67 -25.03 62.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 1.0 110.037 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.42 ' ND2' ' HB2' ' A' ' 112' ' ' PRO . 2.6 p30 -69.56 -9.13 52.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 1.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -112.62 -18.57 12.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 1.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.45 ' O ' ' O ' ' A' ' 113' ' ' SER . 3.8 mm -124.46 137.36 57.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 1.0 109.344 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.489 ' CG2' HD13 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -120.34 159.79 46.28 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 1.0 110.378 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.57 ' HB3' ' CD2' ' A' ' 66' ' ' PHE . 18.3 Cg_endo -75.01 178.83 6.75 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.474 1.776 . . . . 1.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.461 ' CG2' ' O ' ' A' ' 65' ' ' LEU . 82.8 t -102.75 4.58 10.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 1.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 C--O 1.25 1.092 0 CA-C-O 116.992 -1.48 . . . . 1.0 110.019 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.486 ' O ' ' CG2' ' A' ' 119' ' ' VAL . 0.1 OUTLIER -103.18 158.11 16.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 109.324 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.4 ' HB3' ' O ' ' A' ' 117' ' ' THR . 7.2 m-85 -123.65 161.34 25.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 1.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.438 ' O ' ' CG2' ' A' ' 116' ' ' ILE . 0.0 OUTLIER -120.59 162.8 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 1.0 109.312 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.404 ' CB ' ' HB3' ' A' ' 88' ' ' LEU . . . -69.68 131.76 45.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 1.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.518 ' HG ' ' CG2' ' A' ' 117' ' ' THR . 0.4 OUTLIER -83.35 -76.41 0.28 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 1.0 109.277 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.495 ' CD2' HD21 ' A' ' 69' ' ' LEU . 60.5 m-85 -111.01 172.89 6.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 1.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.3 p30 -85.32 177.39 7.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 1.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.584 ' CZ ' ' CG2' ' A' ' 79' ' ' THR . 26.6 t80 -105.97 159.13 16.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 1.0 111.034 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.53 ' CG1' ' N ' ' A' ' 74' ' ' ALA . 1.5 p -105.25 -151.91 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 1.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.53 ' N ' ' CG1' ' A' ' 73' ' ' VAL . . . -44.82 164.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 1.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 79.7 p -101.39 179.93 4.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 1.0 109.996 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 151.25 129.37 1.56 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.497 1.123 . . . . 1.0 110.97 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.4 t0 66.78 -165.28 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.767 . . . . 1.0 109.25 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -71.44 72.36 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 1.0 109.324 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.584 ' CG2' ' CZ ' ' A' ' 72' ' ' PHE . 0.4 OUTLIER -126.63 167.23 15.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 1.0 110.37 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.569 ' CD2' ' CD1' ' A' ' 82' ' ' ILE . 1.6 tt -136.33 119.3 16.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 1.0 109.337 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.464 ' HA ' ' CD2' ' A' ' 72' ' ' PHE . 36.8 m -87.07 115.26 24.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 1.0 110.048 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.569 ' CD1' ' CD2' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -113.4 169.83 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 1.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.5 m -114.03 156.48 24.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 1.0 110.39 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.493 ' O ' ' C ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -57.96 178.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 1.0 109.287 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.493 ' C ' ' O ' ' A' ' 84' ' ' LYS . . . 30.18 51.31 0.18 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.111 . . . . 1.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -120.84 161.76 20.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 0.759 . . . . 1.0 110.29 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.61 86.81 7.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 1.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.532 ' CD2' ' C ' ' A' ' 88' ' ' LEU . 1.9 tt -131.58 116.6 17.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 1.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.463 ' HD3' ' CD2' ' A' ' 65' ' ' LEU . 50.3 mtt-85 -131.71 152.57 50.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 1.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 41.7 t -75.02 146.28 9.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 1.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.1 mt -114.08 -46.51 3.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 1.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -148.36 158.05 27.54 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.484 1.115 . . . . 1.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -111.66 168.5 9.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 0.8 . . . . 1.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.595 ' O ' ' CB ' ' A' ' 95' ' ' HIS . 0.7 OUTLIER -97.98 -47.16 5.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 1.0 109.292 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.6 ' CG ' ' N ' ' A' ' 96' ' ' ASN . 2.9 t-80 154.13 170.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 1.0 109.604 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.6 ' N ' ' CG ' ' A' ' 95' ' ' HIS . 46.7 t30 41.12 28.92 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 1.0 109.32 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.439 ' N ' ' C ' ' A' ' 95' ' ' HIS . . . 36.11 59.64 0.93 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.521 1.138 . . . . 1.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -102.66 -63.16 1.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 0.787 . . . . 1.0 110.334 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.526 ' CE2' ' HB3' ' A' ' 112' ' ' PRO . 21.3 m95 -133.1 149.72 52.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 1.0 107.977 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 4.0 m -135.93 139.34 43.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 1.0 108.286 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -81.87 135.03 35.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 1.0 110.338 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -133.73 162.13 32.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 1.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.452 ' CB ' ' HG3' ' A' ' 108' ' ' GLN . 20.8 tt0 -116.86 140.35 49.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 1.0 110.298 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.464 ' CG2' HD13 ' A' ' 82' ' ' ILE . 31.0 p -114.31 152.58 31.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 1.0 110.427 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -18.02 36.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 1.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -88.05 -39.42 14.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 1.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -173.14 -137.17 2.32 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.528 1.142 . . . . 1.0 111.056 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.5 ' C ' ' CD1' ' A' ' 80' ' ' LEU . 1.0 OUTLIER -151.69 148.34 27.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 0.763 . . . . 1.0 110.286 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.465 ' N ' HD11 ' A' ' 80' ' ' LEU . . . -169.72 -167.47 30.29 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.524 1.14 . . . . 1.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -93.81 157.58 16.07 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.972 -1.122 . . . . 1.0 107.972 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.406 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 7.2 p -154.88 131.71 6.0 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 1.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.526 ' HB3' ' CE2' ' A' ' 99' ' ' TRP . 18.5 Cg_endo -74.93 144.6 30.7 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.455 1.766 . . . . 1.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.3 t -73.17 -25.99 61.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 1.0 109.998 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.528 ' ND2' ' H ' ' A' ' 114' ' ' ASN . 0.5 OUTLIER -69.36 -8.64 48.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 1.0 109.266 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.404 ' CD2' ' HG2' ' A' ' 112' ' ' PRO . 2.1 m-85 -114.55 2.82 14.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 1.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.442 HG21 ' N ' ' A' ' 117' ' ' THR . 9.5 mt -118.71 155.99 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 1.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.518 ' CG2' ' HG ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -125.16 155.21 71.42 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 1.0 110.405 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 171.13 18.92 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.467 1.772 . . . . 1.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.486 ' CG2' ' O ' ' A' ' 65' ' ' LEU . 45.2 t -98.67 4.2 10.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 1.0 109.293 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.0 t . . . . . 0 C--O 1.25 1.121 0 CA-C-O 116.996 -1.478 . . . . 1.0 110.018 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.581 ' O ' ' CE1' ' A' ' 66' ' ' PHE . 47.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -104.98 112.86 26.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.581 ' CE1' ' O ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -117.81 147.6 42.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 1.0 110.981 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -122.38 148.28 26.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 1.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.468 ' CB ' HD21 ' A' ' 88' ' ' LEU . . . -78.12 97.36 5.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 1.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.488 ' HB2' ' CG2' ' A' ' 117' ' ' THR . 3.0 mp -84.73 -26.32 27.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 1.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -93.84 153.79 18.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 1.0 111.007 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.72 162.17 13.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 1.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.57 ' CE1' HG22 ' A' ' 79' ' ' THR . 1.4 t80 -121.63 151.81 40.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 1.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 6.0 p -121.19 127.98 75.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 1.0 109.349 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.25 100.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 1.0 109.264 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 39.2 t -150.1 97.77 2.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 1.0 109.987 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 99.29 163.22 29.53 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.486 1.116 . . . . 1.0 111.028 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.452 ' O ' ' CB ' ' A' ' 78' ' ' ASN . 0.9 OUTLIER -89.18 157.13 18.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 0.778 . . . . 1.0 109.317 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.452 ' CB ' ' O ' ' A' ' 77' ' ' ASP . 3.1 m120 79.12 -0.47 2.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 1.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.57 HG22 ' CE1' ' A' ' 72' ' ' PHE . 0.3 OUTLIER -86.35 172.48 10.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 1.0 110.444 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.551 ' O ' ' CG ' ' A' ' 72' ' ' PHE . 1.4 tt -133.43 117.64 17.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 1.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.4 m -98.43 109.98 22.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 1.0 110.022 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.469 ' CD1' ' HB2' ' A' ' 72' ' ' PHE . 0.3 OUTLIER -136.57 179.53 3.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 1.0 109.274 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.4 m -112.99 151.82 30.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 1.0 110.367 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.46 ' O ' ' C ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -61.73 179.67 0.24 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 1.0 109.285 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 84' ' ' LYS . . . 33.3 41.16 0.13 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 1.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -118.51 158.31 25.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 0.737 . . . . 1.0 110.323 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.81 90.07 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 1.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.563 ' CD2' ' C ' ' A' ' 88' ' ' LEU . 1.3 tt -148.71 126.29 11.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 1.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 67.8 mtm180 -135.83 155.41 50.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 1.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.473 ' CG1' ' HB3' ' A' ' 100' ' ' CYS . 2.7 t -68.44 140.9 18.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 1.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.409 HD12 ' NE2' ' A' ' 103' ' ' GLN . 1.5 mt -109.91 -40.96 4.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 1.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.36 175.29 25.0 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.515 1.134 . . . . 1.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.631 ' N ' ' CD1' ' A' ' 93' ' ' TYR . 0.2 OUTLIER -135.18 169.19 17.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 0.771 . . . . 1.0 110.996 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.512 ' OD1' ' O ' ' A' ' 99' ' ' TRP . 0.8 OUTLIER -91.73 62.27 4.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 1.0 109.306 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.427 ' C ' ' O ' ' A' ' 94' ' ' ASN . 10.9 p80 37.51 41.4 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 1.0 109.573 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 177.65 169.15 0.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 1.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -93.59 40.42 2.79 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 1.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.6 -58.74 2.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 0.764 . . . . 1.0 110.317 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.57 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 13.9 m95 -133.67 163.21 29.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 1.0 107.986 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.473 ' HB3' ' CG1' ' A' ' 90' ' ' VAL . 11.8 m -136.14 130.02 32.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 1.0 108.29 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -74.68 123.94 25.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 1.0 110.316 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.406 ' C ' ' OE1' ' A' ' 103' ' ' GLN . . . -112.67 157.9 20.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 1.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.43 ' HG3' ' CG ' ' A' ' 108' ' ' GLN . 9.9 mp0 -135.08 138.32 43.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 1.0 110.298 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.28 162.93 12.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 1.0 110.416 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -43.89 -62.56 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 1.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 16.0 m-20 -121.03 50.96 1.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 1.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -174.52 162.44 32.62 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.47 1.106 . . . . 1.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.43 ' CG ' ' HG3' ' A' ' 103' ' ' GLN . 0.3 OUTLIER -150.45 151.53 32.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 0.759 . . . . 1.0 110.231 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -179.21 173.59 45.64 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.494 1.121 . . . . 1.0 110.973 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.472 ' C ' ' CG1' ' A' ' 111' ' ' VAL . 5.6 m95 -95.53 152.38 18.48 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.045 -1.094 . . . . 1.0 108.045 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.475 HG21 ' CD1' ' A' ' 116' ' ' ILE . 0.8 OUTLIER -152.46 145.66 17.63 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 1.0 109.254 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.57 ' HD3' ' CZ3' ' A' ' 99' ' ' TRP . 18.4 Cg_endo -74.97 144.92 30.94 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 1.0 111.033 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.416 ' O ' ' O ' ' A' ' 116' ' ' ILE . 0.0 OUTLIER -59.33 -15.59 17.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 1.0 109.993 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.05 -30.56 66.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 1.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.566 ' CD1' ' HG2' ' A' ' 112' ' ' PRO . 3.0 m-85 -76.51 -19.03 58.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 1.0 111.038 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.475 ' CD1' HG21 ' A' ' 111' ' ' VAL . 0.0 OUTLIER -116.77 118.6 59.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 1.0 109.308 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.488 ' CG2' ' HB2' ' A' ' 69' ' ' LEU . 0.5 OUTLIER -114.78 150.19 43.62 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 1.0 110.438 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 165.49 31.23 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.539 1.81 . . . . 1.0 111.027 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 59.6 t -91.73 4.76 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 1.0 109.267 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 9.3 m . . . . . 0 C--O 1.25 1.104 0 CA-C-O 116.998 -1.477 . . . . 1.0 109.984 179.961 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.418 ' N ' HD21 ' A' ' 65' ' ' LEU . 3.7 mm? -125.5 167.19 15.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 109.328 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.504 ' N ' ' CD1' ' A' ' 66' ' ' PHE . 3.5 m-85 -117.87 167.21 11.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 1.0 110.979 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -127.75 147.62 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 1.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.404 ' CB ' ' HB3' ' A' ' 88' ' ' LEU . . . -70.34 112.28 6.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 1.0 109.333 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.479 ' HB2' ' CG2' ' A' ' 117' ' ' THR . 12.4 tp -90.74 -80.8 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 1.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.437 ' N ' ' HG ' ' A' ' 69' ' ' LEU . 12.9 m-85 -72.84 162.21 29.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 1.0 111.045 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.417 ' O ' ' CE1' ' A' ' 115' ' ' TYR . 2.8 p-10 -90.77 172.21 8.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 1.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.577 ' CE1' HG22 ' A' ' 79' ' ' THR . 14.7 t80 -129.1 157.36 41.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 1.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.509 ' N ' ' CD1' ' A' ' 72' ' ' PHE . 67.5 t -129.74 140.4 49.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 1.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.48 142.41 57.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 1.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.6 p -149.73 -67.41 0.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.113 . . . . 1.0 110.008 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -96.67 -179.98 34.63 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.479 1.112 . . . . 1.0 110.973 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -66.61 -61.38 2.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 0.759 . . . . 1.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -81.4 89.56 6.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 1.0 109.263 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.577 HG22 ' CE1' ' A' ' 72' ' ' PHE . 0.5 OUTLIER -150.03 167.72 25.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 1.0 110.431 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.55 ' CD1' ' N ' ' A' ' 109' ' ' GLY . 1.2 tt -135.4 117.31 15.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 1.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.1 m -103.57 110.32 22.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.171 . . . . 1.0 110.002 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.459 HG12 ' CD1' ' A' ' 88' ' ' LEU . 0.2 OUTLIER -127.57 -173.54 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 1.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.1 m -107.64 166.38 10.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 1.0 110.332 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -75.98 165.08 25.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.421 1.076 . . . . 1.0 109.274 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 37.65 30.2 0.06 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.486 1.116 . . . . 1.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.498 ' OE2' ' CE ' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -91.59 165.6 13.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 0.776 . . . . 1.0 110.288 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.26 85.92 3.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 1.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.51 ' CD2' ' C ' ' A' ' 88' ' ' LEU . 1.8 tt -150.37 125.74 10.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 1.0 109.369 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 31.4 mtt180 -135.2 144.43 46.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 1.0 110.26 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.464 ' CG1' ' HB3' ' A' ' 100' ' ' CYS . 12.1 t -71.62 127.96 34.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 1.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.1 mt -108.23 -30.59 8.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 1.0 109.299 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -131.25 166.37 22.83 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.502 1.126 . . . . 1.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -127.93 178.98 5.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 0.76 . . . . 1.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.666 ' ND2' ' CZ3' ' A' ' 110' ' ' TRP . 0.5 OUTLIER -86.17 -179.5 6.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.162 . . . . 1.0 109.352 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.415 ' CD2' ' H ' ' A' ' 95' ' ' HIS . 6.2 p80 -88.15 -42.7 12.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 1.0 109.582 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 57.1 m-20 -94.85 16.31 16.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.579 1.175 . . . . 1.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 50.25 66.32 2.43 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.5 1.125 . . . . 1.0 110.984 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -120.99 -49.01 2.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 1.0 110.331 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.548 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 7.8 m95 -127.87 175.08 8.62 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.986 -1.116 . . . . 1.0 107.986 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.464 ' HB3' ' CG1' ' A' ' 90' ' ' VAL . 18.2 m -136.18 139.42 42.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 1.0 108.305 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -88.56 130.67 35.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 1.0 110.264 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -135.16 164.11 28.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 1.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.461 ' CG ' ' HG3' ' A' ' 108' ' ' GLN . 0.0 OUTLIER -120.8 173.8 6.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 1.0 110.283 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.531 ' HG1' ' N ' ' A' ' 107' ' ' GLY . 1.5 p -135.11 155.0 51.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 1.0 110.414 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.498 ' CE ' ' OE2' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -40.17 -35.64 0.42 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 1.0 109.342 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -149.35 68.18 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 1.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.531 ' N ' ' HG1' ' A' ' 104' ' ' THR . . . 157.73 161.02 10.58 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.504 1.127 . . . . 1.0 110.962 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.461 ' HG3' ' CG ' ' A' ' 103' ' ' GLN . 31.6 tt0 -152.25 147.36 26.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 0.748 . . . . 1.0 110.263 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.55 ' N ' ' CD1' ' A' ' 80' ' ' LEU . . . -177.38 -167.08 35.16 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.489 1.118 . . . . 1.0 111.004 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.666 ' CZ3' ' ND2' ' A' ' 94' ' ' ASN . 37.1 m95 -87.14 150.56 23.89 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.017 -1.105 . . . . 1.0 108.017 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.556 ' CG2' ' CD1' ' A' ' 116' ' ' ILE . 1.0 OUTLIER -147.59 129.49 7.48 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 1.0 109.289 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.548 ' HD3' ' CZ3' ' A' ' 99' ' ' TRP . 18.3 Cg_endo -74.98 142.04 27.45 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 1.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 116' ' ' ILE . 1.9 t -75.57 -24.0 56.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 1.0 110.037 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -69.6 -8.78 50.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 1.0 109.277 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.417 ' CE1' ' O ' ' A' ' 71' ' ' ASP . 1.0 OUTLIER -108.17 -17.58 13.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 1.0 111.012 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.556 ' CD1' ' CG2' ' A' ' 111' ' ' VAL . 11.8 mt -114.69 147.48 18.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 1.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.479 ' CG2' ' HB2' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -124.25 159.26 57.93 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 1.0 110.41 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 173.18 14.95 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.492 1.785 . . . . 1.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.45 ' CG1' ' N ' ' A' ' 120' ' ' SER . 97.7 t -77.8 -111.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 1.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.45 ' N ' ' CG1' ' A' ' 119' ' ' VAL . 83.6 p . . . . . 0 C--O 1.25 1.094 0 CA-C-O 116.966 -1.493 . . . . 1.0 109.958 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 1.212 ' HG ' ' CG1' ' A' ' 119' ' ' VAL . 47.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.413 ' N ' HD21 ' A' ' 65' ' ' LEU . 3.5 mm? -122.03 -178.19 3.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 109.33 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.494 ' N ' ' CD1' ' A' ' 66' ' ' PHE . 3.9 m-85 -116.9 162.19 18.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 1.0 110.992 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -128.13 142.24 44.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 1.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 88' ' ' LEU . . . -70.44 142.12 52.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 1.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.49 ' CD1' ' CG2' ' A' ' 117' ' ' THR . 0.5 OUTLIER -98.51 -59.0 1.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 1.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -109.72 167.92 9.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 1.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.468 ' N ' ' OD1' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -86.55 178.12 7.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 1.0 109.286 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.567 ' CE1' HG22 ' A' ' 79' ' ' THR . 6.3 t80 -119.12 157.22 28.32 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.46 1.1 . . . . 1.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.7 t -118.31 143.76 28.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 1.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.75 103.99 1.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 1.0 109.344 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.6 t -150.06 124.59 9.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 1.0 109.987 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.87 -157.3 25.14 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.462 1.101 . . . . 1.0 111.019 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.69 -68.71 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.758 . . . . 1.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -76.99 83.25 3.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 1.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.567 HG22 ' CE1' ' A' ' 72' ' ' PHE . 0.3 OUTLIER -136.91 169.89 17.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 1.0 110.378 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.537 ' O ' ' CG ' ' A' ' 72' ' ' PHE . 1.2 tt -135.01 117.8 16.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 1.0 109.332 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.433 ' N ' HD21 ' A' ' 80' ' ' LEU . 49.8 m -95.03 107.43 19.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 1.0 109.996 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.438 HG13 ' CD1' ' A' ' 88' ' ' LEU . 0.0 OUTLIER -120.74 169.91 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 1.0 109.334 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.4 m -114.59 161.51 17.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 1.0 110.371 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.555 ' O ' ' C ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -60.57 179.56 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 1.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.555 ' C ' ' O ' ' A' ' 84' ' ' LYS . . . 22.47 58.54 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.455 1.097 . . . . 1.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -125.65 152.59 45.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 1.0 110.282 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.403 ' HG3' ' NH2' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -69.32 81.48 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 1.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.469 ' HB3' ' CB ' ' A' ' 68' ' ' ALA . 1.8 tt -122.03 117.64 26.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 1.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.436 ' N ' HD21 ' A' ' 88' ' ' LEU . 4.4 mtt85 -133.77 140.08 46.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 1.0 110.323 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.564 HG12 ' CE2' ' A' ' 93' ' ' TYR . 54.0 t -69.28 123.72 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 1.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.6 mt -105.06 -29.81 10.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 1.0 109.337 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -129.86 157.23 21.79 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.484 1.115 . . . . 1.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.566 ' CD1' ' HB3' ' A' ' 100' ' ' CYS . 1.1 m-85 -142.03 147.41 36.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.766 . . . . 1.0 111.021 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.574 ' ND2' ' O ' ' A' ' 99' ' ' TRP . 7.4 p30 -71.16 -151.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 1.0 109.273 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.465 ' N ' ' OD1' ' A' ' 94' ' ' ASN . 18.6 t-160 -121.71 -47.52 2.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 1.0 109.629 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.581 ' O ' ' C ' ' A' ' 97' ' ' GLY . 37.6 m-80 -84.72 45.2 1.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 1.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.581 ' C ' ' O ' ' A' ' 96' ' ' ASN . . . 19.55 56.64 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.501 1.125 . . . . 1.0 111.047 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 96' ' ' ASN . 0.6 OUTLIER -105.84 -59.61 1.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 0.782 . . . . 1.0 110.297 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.574 ' O ' ' ND2' ' A' ' 94' ' ' ASN . 13.5 m95 -136.79 154.03 50.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 1.0 108.007 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.566 ' HB3' ' CD1' ' A' ' 93' ' ' TYR . 0.9 OUTLIER -122.13 140.24 52.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 1.0 108.247 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -83.66 136.97 34.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 1.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.41 ' HB1' ' CG1' ' A' ' 111' ' ' VAL . . . -132.47 160.61 35.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 1.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -123.34 150.31 43.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 1.0 110.286 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 105' ' ' LYS . 3.1 m -104.65 160.65 14.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 1.0 110.379 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 104' ' ' THR . 5.2 tptp -39.34 -53.61 1.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 1.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -133.97 55.03 1.92 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 1.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 178.87 -176.27 47.87 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.521 1.138 . . . . 1.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -150.39 179.32 8.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 0.781 . . . . 1.0 110.344 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.452 ' N ' HD13 ' A' ' 80' ' ' LEU . . . 155.48 -179.99 31.03 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.541 1.151 . . . . 1.0 110.986 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -95.49 159.59 14.92 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.004 -1.11 . . . . 1.0 108.004 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.411 ' O ' ' O ' ' A' ' 100' ' ' CYS . 4.9 p -158.47 129.94 3.91 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 1.0 109.328 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.543 ' HG3' ' CH2' ' A' ' 99' ' ' TRP . 18.4 Cg_endo -74.93 144.61 30.71 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 1.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 116' ' ' ILE . 0.3 OUTLIER -73.86 -10.8 60.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 1.0 110.025 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -71.12 -28.09 64.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 1.0 109.257 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -102.93 2.24 34.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 1.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.412 ' O ' ' O ' ' A' ' 113' ' ' SER . 7.7 mm -126.7 147.72 31.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 1.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.49 ' CG2' ' CD1' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -130.59 156.62 79.46 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 1.0 110.391 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -179.37 4.91 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.502 1.791 . . . . 1.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 1.212 ' CG1' ' HG ' ' A' ' 64' ' ' SER . 1.8 p -69.05 -103.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 1.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.524 ' N ' ' CG2' ' A' ' 119' ' ' VAL . 11.9 p . . . . . 0 C--O 1.25 1.097 0 CA-C-O 117.03 -1.462 . . . . 1.0 110.024 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.708 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 47.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -128.2 80.81 1.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.708 ' CE2' ' HB3' ' A' ' 64' ' ' SER . 0.4 OUTLIER -115.6 153.72 30.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 1.0 111.005 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.502 ' CG1' ' CG2' ' A' ' 119' ' ' VAL . 0.8 OUTLIER -104.62 153.29 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 1.0 109.356 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.477 ' CB ' ' HB3' ' A' ' 88' ' ' LEU . . . -68.89 125.39 26.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 1.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.475 ' HG ' ' CG2' ' A' ' 117' ' ' THR . 0.2 OUTLIER -77.8 -77.66 0.15 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 1.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -105.1 178.27 4.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 1.0 110.997 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.536 ' N ' ' OD1' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -77.93 176.22 9.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 1.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -124.18 167.04 14.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 1.0 111.029 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.427 HG21 ' N ' ' A' ' 74' ' ' ALA . 13.1 p -125.38 154.93 34.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 1.0 109.348 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.427 ' N ' HG21 ' A' ' 73' ' ' VAL . . . -70.68 145.63 50.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 1.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.24 162.96 39.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 1.0 109.999 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.408 ' O ' ' CG ' ' A' ' 77' ' ' ASP . . . -107.61 56.25 0.49 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.499 1.125 . . . . 1.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 78' ' ' ASN . 4.5 m-20 -166.86 85.47 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 0.75 . . . . 1.0 109.335 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 77' ' ' ASP . 7.6 m120 38.99 68.29 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 1.0 109.334 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.477 HG21 ' N ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -134.0 160.12 38.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 1.0 110.4 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.503 ' CD1' ' O ' ' A' ' 108' ' ' GLN . 2.4 tt -136.36 121.2 18.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 1.0 109.338 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.1 m -67.76 110.81 3.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 1.0 110.012 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.492 HD11 ' CD1' ' A' ' 88' ' ' LEU . 0.0 OUTLIER -119.81 152.62 22.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 1.0 109.342 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.3 m -111.12 160.61 16.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.09 . . . . 1.0 110.405 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.47 ' O ' ' C ' ' A' ' 85' ' ' GLY . 4.4 pttt -62.25 -176.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 1.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 84' ' ' LYS . . . 32.18 38.47 0.05 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.461 1.101 . . . . 1.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 84' ' ' LYS . 5.1 tp10 -116.27 155.99 27.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 0.753 . . . . 1.0 110.33 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.7 mttp -72.8 89.66 1.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 1.0 109.328 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.506 ' CD2' ' C ' ' A' ' 88' ' ' LEU . 2.9 tt -129.44 113.14 14.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 1.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.2 mtp85 -136.0 139.23 43.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 1.0 110.285 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.579 ' HB ' ' CD2' ' A' ' 66' ' ' PHE . 92.9 t -71.33 111.05 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 1.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.434 ' CD1' ' CD ' ' A' ' 103' ' ' GLN . 0.8 OUTLIER -113.7 -7.84 13.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 1.0 109.29 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -153.48 168.29 32.09 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.469 1.106 . . . . 1.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -131.5 176.99 7.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 0.755 . . . . 1.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.492 ' ND2' ' CZ3' ' A' ' 110' ' ' TRP . 0.5 OUTLIER -78.08 165.6 23.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 1.0 109.341 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -91.21 41.73 1.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 1.0 109.616 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -168.8 -53.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 1.0 109.334 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 124.99 55.95 0.17 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.519 1.137 . . . . 1.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.504 ' CG ' ' N ' ' A' ' 99' ' ' TRP . 12.6 pt-20 -120.04 -47.83 2.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.756 . . . . 1.0 110.282 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.563 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 8.0 m95 -133.02 174.54 10.25 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.996 -1.113 . . . . 1.0 107.996 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 35.6 m -135.5 132.71 37.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 1.0 108.295 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -85.01 151.18 24.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.079 . . . . 1.0 110.325 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -135.22 171.48 14.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 1.0 109.334 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.434 ' CD ' ' CD1' ' A' ' 91' ' ' LEU . 51.2 mt-30 -105.08 135.55 46.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 1.0 110.27 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.52 ' O ' ' C ' ' A' ' 105' ' ' LYS . 1.2 p -104.2 176.69 5.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 1.0 110.382 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.52 ' C ' ' O ' ' A' ' 104' ' ' THR . 0.0 OUTLIER -30.81 -54.22 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 1.0 109.277 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 21.4 m-20 -150.16 58.71 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 1.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 178.97 -136.54 2.9 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.514 1.133 . . . . 1.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.516 ' O ' ' CG2' ' A' ' 104' ' ' THR . 4.5 mt-30 -133.26 -168.85 2.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 0.787 . . . . 1.0 110.272 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.439 ' HA2' ' HB3' ' A' ' 80' ' ' LEU . . . -176.56 128.79 1.39 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.468 1.105 . . . . 1.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.492 ' CZ3' ' ND2' ' A' ' 94' ' ' ASN . 37.5 m95 -92.81 129.43 38.74 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.959 -1.126 . . . . 1.0 107.959 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.482 ' CG2' ' HD2' ' A' ' 112' ' ' PRO . 6.8 p -160.78 141.71 8.73 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 1.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.563 ' HD3' ' CZ3' ' A' ' 99' ' ' TRP . 18.4 Cg_endo -74.94 148.31 35.41 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.455 1.766 . . . . 1.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.15 -12.25 49.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 1.0 110.025 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.35 -39.99 77.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 1.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -95.7 13.69 25.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 1.0 111.024 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.468 ' CD1' ' HA ' ' A' ' 68' ' ' ALA . 10.8 mm -126.71 154.28 36.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 1.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.475 ' CG2' ' HG ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -133.54 138.95 32.36 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 1.0 110.425 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 175.23 11.52 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.519 1.8 . . . . 1.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.502 ' CG2' ' CG1' ' A' ' 67' ' ' VAL . 83.4 t -113.92 4.55 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 1.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 10.5 t . . . . . 0 C--O 1.25 1.104 0 CA-C-O 117.032 -1.461 . . . . 1.0 109.998 -179.98 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 1.007 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 47.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -110.64 64.47 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 109.343 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 1.007 ' CE2' ' HB3' ' A' ' 64' ' ' SER . 0.8 OUTLIER -108.19 158.66 17.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 1.0 111.006 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -126.25 156.44 36.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 1.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.549 ' CB ' ' CD2' ' A' ' 88' ' ' LEU . . . -79.3 88.67 4.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 1.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.495 ' HB2' ' CG2' ' A' ' 117' ' ' THR . 0.3 OUTLIER -69.89 -44.98 68.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 1.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -103.7 165.5 11.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 1.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.53 156.24 20.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 1.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.582 ' CZ ' ' HB1' ' A' ' 74' ' ' ALA . 12.1 t80 -138.15 117.92 13.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 1.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.7 p -135.12 58.59 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 1.0 109.244 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.582 ' HB1' ' CZ ' ' A' ' 72' ' ' PHE . . . -75.17 163.98 26.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 1.0 109.256 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.12 93.31 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 1.0 109.999 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -169.77 -131.81 1.37 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.505 1.128 . . . . 1.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -64.14 -167.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 0.755 . . . . 1.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -43.06 101.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 1.0 109.317 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -147.49 158.1 43.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 1.0 110.423 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.463 ' CD1' ' C ' ' A' ' 108' ' ' GLN . 1.7 tt -135.85 117.45 14.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 1.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 48.9 m -81.22 112.91 18.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 1.0 110.041 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.461 ' CD1' ' CD2' ' A' ' 80' ' ' LEU . 0.5 OUTLIER -107.72 168.55 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 1.0 109.272 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.2 m -115.75 156.73 25.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 1.0 110.417 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 86' ' ' GLU . 1.0 OUTLIER -65.36 -177.81 0.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 1.0 109.355 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.418 ' N ' ' HE2' ' A' ' 84' ' ' LYS . . . 37.58 29.83 0.05 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.502 1.126 . . . . 1.0 110.957 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 84' ' ' LYS . 0.7 OUTLIER -109.65 159.79 16.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 0.779 . . . . 1.0 110.296 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.467 ' H ' ' CD ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -90.11 78.19 6.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 1.0 109.318 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.549 ' CD2' ' CB ' ' A' ' 68' ' ' ALA . 0.1 OUTLIER -127.13 126.13 42.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 1.0 109.29 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.462 ' CB ' ' O ' ' A' ' 66' ' ' PHE . 7.2 mtt180 -132.02 153.54 50.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 1.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.468 ' CG2' ' HB2' ' A' ' 100' ' ' CYS . 5.0 t -69.52 156.66 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 1.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.7 mt -118.0 -53.06 2.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 1.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -139.31 -173.91 13.31 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.551 1.157 . . . . 1.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -137.6 152.48 49.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 1.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.443 ' OD1' ' O ' ' A' ' 99' ' ' TRP . 0.4 OUTLIER -75.67 57.14 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 1.0 109.318 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.496 ' CG ' ' O ' ' A' ' 95' ' ' HIS . 77.0 t60 37.97 44.41 0.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 1.0 109.58 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 176.74 166.83 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 1.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -91.74 61.33 2.74 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.437 1.086 . . . . 1.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.32 -63.04 1.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 1.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.531 ' CZ2' ' HB3' ' A' ' 112' ' ' PRO . 13.2 m95 -133.32 159.36 40.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 1.0 108.025 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.468 ' HB2' ' CG2' ' A' ' 90' ' ' VAL . 2.2 m -136.92 127.09 26.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 1.0 108.326 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.474 ' HG3' ' CD1' ' A' ' 110' ' ' TRP . 11.5 tt0 -70.44 131.52 44.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 1.0 110.31 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.405 ' HB2' ' CG1' ' A' ' 111' ' ' VAL . . . -135.2 159.3 41.96 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.506 1.129 . . . . 1.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.427 ' HB3' ' CG ' ' A' ' 108' ' ' GLN . 0.9 OUTLIER -107.68 177.01 4.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 1.0 110.319 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.417 ' N ' ' O ' ' A' ' 107' ' ' GLY . 1.8 m -135.0 157.36 47.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 1.0 110.401 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 104' ' ' THR . 1.9 pttp -39.84 -56.07 1.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 1.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.95 55.77 1.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 1.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 104' ' ' THR . . . 176.17 168.86 36.95 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.465 1.103 . . . . 1.0 110.982 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.463 ' C ' ' CD1' ' A' ' 80' ' ' LEU . 2.7 mt-30 -151.14 147.81 27.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 0.744 . . . . 1.0 110.337 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.404 ' N ' HD11 ' A' ' 80' ' ' LEU . . . 178.41 -164.19 32.66 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.121 . . . . 1.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.474 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 7.5 m95 -99.47 145.79 27.06 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.005 -1.109 . . . . 1.0 108.005 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.594 ' CG2' ' CD1' ' A' ' 116' ' ' ILE . 1.9 m -137.58 136.16 19.97 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 1.0 109.246 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.575 ' HD3' ' CZ ' ' A' ' 72' ' ' PHE . 18.2 Cg_endo -74.98 140.75 25.89 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.511 1.795 . . . . 1.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.461 ' O ' ' O ' ' A' ' 116' ' ' ILE . 0.1 OUTLIER -76.09 -12.91 60.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 1.0 109.98 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.542 ' OD1' ' CD1' ' A' ' 115' ' ' TYR . 30.3 p30 -73.04 -15.28 61.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 1.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.542 ' CD1' ' OD1' ' A' ' 114' ' ' ASN . 3.1 m-30 -111.19 -6.04 14.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 1.0 111.054 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.594 ' CD1' ' CG2' ' A' ' 111' ' ' VAL . 9.2 mt -129.69 144.9 36.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 1.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.495 ' CG2' ' HB2' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -131.45 158.86 74.12 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 1.0 110.458 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.539 ' HB3' ' CD1' ' A' ' 66' ' ' PHE . 18.3 Cg_endo -75.01 170.31 20.69 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.504 1.792 . . . . 1.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 97.5 t -86.21 4.58 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 1.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 34.3 t . . . . . 0 C--O 1.249 1.064 0 CA-C-O 116.972 -1.49 . . . . 1.0 110.03 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.405 HD21 ' N ' ' A' ' 65' ' ' LEU . 3.6 mm? -95.26 169.25 10.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.566 ' CD1' ' HB ' ' A' ' 90' ' ' VAL . 0.6 OUTLIER -122.35 157.67 31.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 1.0 111.014 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.409 ' N ' ' O ' ' A' ' 117' ' ' THR . 0.0 OUTLIER -116.55 142.12 31.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 1.0 109.298 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.48 ' CB ' HD21 ' A' ' 88' ' ' LEU . . . -70.09 137.97 51.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 1.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.491 ' CD1' ' CG2' ' A' ' 117' ' ' THR . 0.5 OUTLIER -95.79 -65.3 0.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 1.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -107.16 176.86 5.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 1.0 111.019 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -99.93 172.47 7.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 1.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.546 ' CD1' ' N ' ' A' ' 73' ' ' VAL . 17.5 t80 -111.67 159.47 18.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 1.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.546 ' N ' ' CD1' ' A' ' 72' ' ' PHE . 11.7 p -115.75 114.85 47.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 1.0 109.307 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -45.05 124.6 4.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 1.0 109.259 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.0 p -150.0 -65.79 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 1.0 109.992 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -82.21 -176.19 51.1 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.516 1.135 . . . . 1.0 111.033 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -100.54 -56.42 2.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 1.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -62.93 -13.78 38.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 1.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.478 HG23 ' CE1' ' A' ' 72' ' ' PHE . 0.3 OUTLIER -69.87 171.86 8.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 1.0 110.383 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.478 ' N ' ' CG2' ' A' ' 79' ' ' THR . 1.2 tt -135.54 117.84 15.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 1.0 109.277 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.4 m -89.52 110.34 21.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 1.0 109.976 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.488 ' CG2' ' OE2' ' A' ' 86' ' ' GLU . 0.1 OUTLIER -115.9 176.58 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 1.0 109.323 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.5 m -119.75 153.25 35.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 1.0 110.37 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -62.71 -178.17 0.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 1.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 84' ' ' LYS . . . 36.14 32.73 0.05 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.473 1.108 . . . . 1.0 111.037 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.488 ' OE2' ' CG2' ' A' ' 82' ' ' ILE . 15.9 tt0 -105.59 166.78 10.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 0.798 . . . . 1.0 110.342 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.4 pttp -90.79 68.31 6.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 1.0 109.265 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.523 ' CD2' ' C ' ' A' ' 88' ' ' LEU . 1.0 OUTLIER -111.42 123.63 50.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 1.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 -135.09 144.86 47.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 1.0 110.289 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.566 ' HB ' ' CD1' ' A' ' 66' ' ' PHE . 2.9 t -75.13 116.23 17.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 1.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.4 mt -115.32 7.98 15.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 1.0 109.332 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -146.58 151.1 23.41 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.483 1.114 . . . . 1.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -142.99 144.51 32.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 0.748 . . . . 1.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.544 ' OD1' ' CG ' ' A' ' 95' ' ' HIS . 0.3 OUTLIER -85.15 175.01 9.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.422 1.076 . . . . 1.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.544 ' CG ' ' OD1' ' A' ' 94' ' ' ASN . 4.6 p-80 -38.74 -73.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 1.0 109.6 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.439 ' O ' ' ND2' ' A' ' 94' ' ' ASN . 0.7 OUTLIER -80.8 -173.26 4.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 1.0 109.289 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -105.42 68.14 0.25 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.47 1.107 . . . . 1.0 111.03 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.34 -52.13 2.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 0.774 . . . . 1.0 110.316 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.481 ' CH2' ' HG3' ' A' ' 112' ' ' PRO . 22.7 m95 -125.78 153.51 43.91 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.985 -1.117 . . . . 1.0 107.985 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.472 ' HB2' ' CG1' ' A' ' 90' ' ' VAL . 0.8 OUTLIER -135.73 139.4 43.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 1.0 108.248 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -77.68 132.06 38.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 1.0 110.312 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.457 ' HB1' ' CG1' ' A' ' 111' ' ' VAL . . . -127.9 159.61 34.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 1.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -121.95 157.15 31.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 1.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.43 ' O ' ' O ' ' A' ' 107' ' ' GLY . 77.0 m -135.49 145.49 47.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 1.0 110.427 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.04 -16.54 19.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 1.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -91.8 -39.37 11.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 1.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 104' ' ' THR . . . -169.9 -144.89 4.46 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.552 1.158 . . . . 1.0 110.983 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.403 ' HA ' ' CD1' ' A' ' 80' ' ' LEU . 1.9 tt0 -150.34 163.76 37.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 0.743 . . . . 1.0 110.293 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.451 ' N ' HD11 ' A' ' 80' ' ' LEU . . . 172.91 -169.23 42.38 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.534 1.146 . . . . 1.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 30.9 m95 -93.21 150.49 20.46 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.993 -1.114 . . . . 1.0 107.993 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.472 ' CG2' HD13 ' A' ' 116' ' ' ILE . 0.9 OUTLIER -147.57 126.91 6.42 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 1.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.481 ' HG3' ' CH2' ' A' ' 99' ' ' TRP . 18.4 Cg_endo -75.0 140.05 24.99 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.453 1.765 . . . . 1.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 116' ' ' ILE . 39.1 t -72.91 -5.09 36.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 1.0 110.014 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -71.23 -34.12 70.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 1.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -97.23 9.44 42.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 1.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.472 HD13 ' CG2' ' A' ' 111' ' ' VAL . 8.6 mt -135.29 157.01 39.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 1.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.491 ' CG2' ' CD1' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -134.0 154.06 80.07 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 1.0 110.388 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 179.46 6.04 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.461 1.769 . . . . 1.0 111.03 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.472 ' CG1' ' N ' ' A' ' 120' ' ' SER . 83.5 t -101.24 -107.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 1.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.472 ' N ' ' CG1' ' A' ' 119' ' ' VAL . 30.3 m . . . . . 0 C--O 1.25 1.1 0 CA-C-O 116.999 -1.477 . . . . 1.0 109.985 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.501 ' O ' ' CG2' ' A' ' 119' ' ' VAL . 4.1 mm? -83.05 170.63 14.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.566 ' CD1' ' HB3' ' A' ' 118' ' ' PRO . 1.2 m-85 -122.47 158.28 30.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 1.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -115.83 141.18 34.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 1.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.474 ' CB ' HD21 ' A' ' 88' ' ' LEU . . . -69.93 132.35 45.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 1.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.465 ' HG ' ' CG2' ' A' ' 117' ' ' THR . 1.1 mt -95.35 -77.04 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 1.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -86.26 148.24 25.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 1.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.1 p30 -72.43 -177.29 2.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.153 . . . . 1.0 109.334 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.574 ' CE1' HG22 ' A' ' 79' ' ' THR . 3.8 t80 -129.82 141.91 50.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 1.0 111.007 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.8 p -118.66 122.95 70.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 1.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.04 139.39 17.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 1.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.4 m -148.6 -66.64 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 1.0 109.962 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -111.51 172.79 15.21 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 1.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 78' ' ' ASN . 42.0 m-20 -58.76 173.3 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 1.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 77' ' ' ASP . 1.2 t-20 39.17 82.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 1.0 109.31 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.574 HG22 ' CE1' ' A' ' 72' ' ' PHE . 0.3 OUTLIER -149.28 169.72 20.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 1.0 110.434 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.494 ' O ' ' CG ' ' A' ' 72' ' ' PHE . 1.3 tt -135.39 117.76 15.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 1.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.0 m -99.26 111.79 24.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 1.0 109.997 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.419 ' CG1' HD23 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -128.89 -176.67 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 1.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 16.1 m -108.43 171.68 7.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 1.0 110.43 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -75.88 165.05 25.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 1.0 109.327 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 37.49 31.02 0.06 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.497 1.123 . . . . 1.0 110.983 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 84' ' ' LYS . 4.4 tp10 -91.03 148.64 22.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 1.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -69.86 91.52 0.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 1.0 109.265 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.506 ' CD2' ' C ' ' A' ' 88' ' ' LEU . 0.5 OUTLIER -145.6 130.04 17.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 1.0 109.285 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.6 mtp180 -135.13 149.96 50.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 1.0 110.322 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.473 ' CG1' ' HB3' ' A' ' 100' ' ' CYS . 5.1 t -69.78 134.82 29.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 1.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.46 HD11 ' CG ' ' A' ' 103' ' ' GLN . 1.2 mt -108.72 -36.7 6.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 1.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -132.06 172.85 20.9 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.495 1.122 . . . . 1.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -131.25 171.97 12.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 0.757 . . . . 1.0 111.037 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.65 ' ND2' ' CH2' ' A' ' 110' ' ' TRP . 0.5 OUTLIER -80.91 137.27 36.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.108 . . . . 1.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.568 ' CD2' ' N ' ' A' ' 95' ' ' HIS . 0.0 OUTLIER -36.84 -69.33 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 1.0 109.565 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -59.73 -59.81 4.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 1.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 131.71 68.8 0.09 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.48 1.112 . . . . 1.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.564 ' HG3' ' CD1' ' A' ' 99' ' ' TRP . 1.2 tp10 -120.48 -58.5 1.84 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 0.763 . . . . 1.0 110.29 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.564 ' CD1' ' HG3' ' A' ' 98' ' ' GLU . 14.3 m0 -120.46 179.25 4.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 1.0 107.983 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.473 ' HB3' ' CG1' ' A' ' 90' ' ' VAL . 69.5 m -136.59 139.69 42.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 1.0 108.3 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -86.96 133.12 33.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 1.0 110.284 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.434 ' O ' ' CD1' ' A' ' 80' ' ' LEU . . . -135.69 158.85 43.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 1.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.46 ' CG ' HD11 ' A' ' 91' ' ' LEU . 2.9 pt20 -125.92 167.19 15.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 1.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.49 ' O ' ' C ' ' A' ' 105' ' ' LYS . 6.5 p -131.74 173.49 11.1 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.556 1.16 . . . . 1.0 110.4 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.49 ' C ' ' O ' ' A' ' 104' ' ' THR . 0.2 OUTLIER -32.9 -69.43 0.09 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 1.0 109.251 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -131.68 53.81 1.97 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 1.0 109.316 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.483 ' O ' ' N ' ' A' ' 104' ' ' THR . . . -169.08 128.53 1.7 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.532 1.145 . . . . 1.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.443 ' CG ' ' HB3' ' A' ' 103' ' ' GLN . 9.4 mp0 -122.12 157.68 30.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 0.769 . . . . 1.0 110.256 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.413 ' N ' ' CD1' ' A' ' 80' ' ' LEU . . . 169.24 -173.54 43.65 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.546 1.154 . . . . 1.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.65 ' CH2' ' ND2' ' A' ' 94' ' ' ASN . 28.7 m95 -87.96 160.99 17.67 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.009 -1.108 . . . . 1.0 108.009 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.471 ' CG2' HD13 ' A' ' 116' ' ' ILE . 3.6 p -159.83 131.49 4.06 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 1.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.527 ' HB3' ' CE2' ' A' ' 99' ' ' TRP . 18.3 Cg_endo -74.99 145.4 31.44 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.45 1.763 . . . . 1.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.16 -21.57 58.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 1.0 110.012 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.431 ' ND2' ' HB2' ' A' ' 112' ' ' PRO . 1.8 p30 -69.7 -12.94 62.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 1.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -104.87 -13.32 15.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 1.0 111.036 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.471 HD13 ' CG2' ' A' ' 111' ' ' VAL . 62.4 mt -117.07 149.98 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 1.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.465 ' CG2' ' HG ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -128.9 147.22 63.76 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 1.0 110.398 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.566 ' HB3' ' CD1' ' A' ' 66' ' ' PHE . 18.3 Cg_endo -74.98 175.23 11.5 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.536 1.809 . . . . 1.0 110.994 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 65' ' ' LEU . 93.1 t -81.15 -111.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 1.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.454 ' N ' ' CG1' ' A' ' 119' ' ' VAL . 15.2 p . . . . . 0 C--O 1.25 1.094 0 CA-C-O 117.008 -1.472 . . . . 1.0 110.015 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.477 ' O ' ' CG2' ' A' ' 119' ' ' VAL . 3.3 mm? -120.12 -175.02 2.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.472 ' CD2' ' HB3' ' A' ' 118' ' ' PRO . 7.1 m-85 -112.04 163.4 14.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 1.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -121.79 147.8 25.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 1.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.09 123.98 23.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 1.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.5 ' CD1' ' CG2' ' A' ' 117' ' ' THR . 0.3 OUTLIER -80.46 -78.39 0.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 1.0 109.288 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -102.46 169.42 8.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 1.0 110.99 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.498 ' CG ' ' N ' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -86.09 169.41 13.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 1.0 109.345 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.608 ' CZ ' ' O ' ' A' ' 73' ' ' VAL . 0.3 OUTLIER -104.23 146.77 28.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 1.0 111.006 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.608 ' O ' ' CZ ' ' A' ' 72' ' ' PHE . 74.6 t -101.06 153.82 4.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 1.0 109.349 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -44.35 128.31 6.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 1.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 26.8 m -150.11 -174.74 4.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 1.0 109.997 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -148.56 170.78 29.02 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.532 1.145 . . . . 1.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 78' ' ' ASN . 23.7 m-20 57.87 107.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 0.784 . . . . 1.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 77' ' ' ASP . 4.4 p30 39.48 81.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 1.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.576 HG22 ' CZ ' ' A' ' 72' ' ' PHE . 0.3 OUTLIER -138.01 167.62 21.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 1.0 110.38 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.435 ' CD2' HG12 ' A' ' 82' ' ' ILE . 1.8 tt -135.9 118.32 15.77 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.479 1.112 . . . . 1.0 109.262 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.569 ' HA ' ' CD1' ' A' ' 72' ' ' PHE . 50.8 m -90.99 108.07 19.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 1.0 110.01 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.483 ' CD1' HD11 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -133.41 162.54 39.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 1.0 109.279 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.1 m -105.58 172.86 6.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 1.0 110.409 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -75.39 163.43 27.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 1.0 109.301 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 37.55 30.9 0.06 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.517 1.136 . . . . 1.0 111.02 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 84' ' ' LYS . 1.9 tt0 -88.08 150.51 23.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 0.766 . . . . 1.0 110.295 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -76.3 83.99 3.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 1.0 109.327 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.483 HD11 ' CD1' ' A' ' 82' ' ' ILE . 1.2 tt -131.54 133.63 45.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 1.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 20.2 mmm-85 -135.01 139.93 45.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 1.0 110.286 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.2 t -77.33 118.04 23.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 1.0 109.341 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.3 mt -112.82 -6.31 13.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 1.0 109.28 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -125.87 145.8 15.9 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.471 1.107 . . . . 1.0 110.958 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -123.83 156.0 36.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 0.79 . . . . 1.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.466 ' ND2' ' H ' ' A' ' 99' ' ' TRP . 23.6 p-10 -105.89 171.49 7.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 1.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -135.25 20.56 3.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 1.0 109.595 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.54 ' ND2' ' N ' ' A' ' 97' ' ' GLY . 0.0 OUTLIER -101.93 -54.95 2.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 1.0 109.255 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.54 ' N ' ' ND2' ' A' ' 96' ' ' ASN . . . -142.87 -119.51 1.44 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.467 1.104 . . . . 1.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -121.95 68.03 0.92 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 0.759 . . . . 1.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.524 ' CH2' ' HG3' ' A' ' 112' ' ' PRO . 41.9 m95 -136.27 148.3 47.94 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.013 -1.106 . . . . 1.0 108.013 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 2.3 m -135.78 136.54 40.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 1.0 108.271 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -71.66 132.94 45.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 1.0 110.277 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -120.74 155.07 34.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 1.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -125.17 131.09 53.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 1.0 110.291 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.488 ' O ' ' O ' ' A' ' 107' ' ' GLY . 7.6 m -106.26 139.84 40.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.078 . . . . 1.0 110.414 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -15.44 9.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 1.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -96.3 -39.44 9.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 1.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.488 ' O ' ' O ' ' A' ' 104' ' ' THR . . . -160.8 -139.59 2.69 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.485 1.115 . . . . 1.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.404 ' C ' ' HG ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -150.86 174.15 13.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 0.75 . . . . 1.0 110.268 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.428 ' N ' ' HG ' ' A' ' 80' ' ' LEU . . . 167.4 -167.68 40.06 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.458 1.099 . . . . 1.0 111.028 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 15.8 m95 -107.67 153.76 22.45 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.985 -1.117 . . . . 1.0 107.985 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.1 p -146.56 126.13 6.68 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 1.0 109.301 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.524 ' HG3' ' CH2' ' A' ' 99' ' ' TRP . 18.1 Cg_endo -75.04 151.42 39.31 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.486 1.782 . . . . 1.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.467 ' O ' ' O ' ' A' ' 116' ' ' ILE . 0.1 OUTLIER -72.56 -17.76 61.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 1.0 109.959 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.53 ' OD1' ' CD1' ' A' ' 115' ' ' TYR . 25.2 p30 -71.56 -16.91 62.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 1.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.53 ' CD1' ' OD1' ' A' ' 114' ' ' ASN . 6.2 m-30 -114.16 -4.8 13.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 1.0 111.029 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.467 ' O ' ' O ' ' A' ' 113' ' ' SER . 8.6 mm -131.5 142.36 43.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 1.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.5 ' CG2' ' CD1' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -123.93 156.19 66.05 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 1.0 110.403 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.472 ' HB3' ' CD2' ' A' ' 66' ' ' PHE . 18.3 Cg_endo -74.99 178.78 6.81 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.56 1.821 . . . . 1.0 110.976 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.477 ' CG2' ' O ' ' A' ' 65' ' ' LEU . 66.9 t -109.17 4.72 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 1.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 88.7 p . . . . . 0 C--O 1.25 1.08 0 CA-C-O 116.984 -1.484 . . . . 1.0 110.006 -180.0 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.417 ' N ' HD21 ' A' ' 65' ' ' LEU . 4.3 mm? -103.87 136.48 43.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.412 ' CD1' ' N ' ' A' ' 66' ' ' PHE . 16.4 m-85 -129.64 164.76 23.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 1.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -129.96 158.41 42.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 1.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.473 ' CB ' ' HB3' ' A' ' 88' ' ' LEU . . . -69.58 131.22 44.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 1.0 109.276 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.506 ' HG ' ' CG2' ' A' ' 117' ' ' THR . 0.3 OUTLIER -76.44 -72.44 0.33 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 1.0 109.324 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.474 ' CE2' HD21 ' A' ' 69' ' ' LEU . 53.7 m-85 -117.05 -179.28 3.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 1.0 111.052 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.68 161.35 29.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 1.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.585 ' CE2' ' HB1' ' A' ' 74' ' ' ALA . 85.1 t80 -121.27 128.57 52.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 1.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.2 t -135.36 78.53 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 1.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.585 ' HB1' ' CE2' ' A' ' 72' ' ' PHE . . . -75.55 -171.02 1.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 1.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.7 p -150.53 -46.51 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 1.0 110.004 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -64.63 176.39 10.96 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.532 1.145 . . . . 1.0 111.023 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.402 ' C ' ' CG ' ' A' ' 78' ' ' ASN . 0.6 OUTLIER -68.07 -176.23 0.68 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 0.742 . . . . 1.0 109.311 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.402 ' CG ' ' C ' ' A' ' 77' ' ' ASP . 1.0 OUTLIER 40.52 72.27 0.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 1.0 109.277 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -148.42 156.9 43.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 1.0 110.388 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.474 ' CD1' ' C ' ' A' ' 108' ' ' GLN . 2.1 tt -133.7 115.58 14.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 1.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.0 m -78.18 109.51 12.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 1.0 110.05 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.455 ' CD1' ' HB3' ' A' ' 72' ' ' PHE . 0.4 OUTLIER -127.21 154.39 37.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 1.0 109.241 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.6 m -104.95 157.31 17.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 1.0 110.411 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.07 174.95 2.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 1.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 49.36 21.34 2.88 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.482 1.114 . . . . 1.0 110.971 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -110.5 172.32 6.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 0.753 . . . . 1.0 110.293 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.1 mttm -69.36 87.75 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 1.0 109.244 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.473 ' HB3' ' CB ' ' A' ' 68' ' ' ALA . 0.6 OUTLIER -137.63 110.06 7.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 1.0 109.317 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.41 ' NH1' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -131.88 144.97 51.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 1.0 110.331 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.452 ' CG1' ' SG ' ' A' ' 100' ' ' CYS . 39.3 t -71.0 121.59 21.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 1.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.421 HD11 ' CB ' ' A' ' 103' ' ' GLN . 2.1 mt -107.33 -25.25 11.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 1.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.401 ' O ' ' SG ' ' A' ' 100' ' ' CYS . . . -162.0 163.17 34.68 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.439 1.087 . . . . 1.0 111.007 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -119.53 -171.81 2.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 1.0 111.028 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.644 ' ND2' ' CZ3' ' A' ' 110' ' ' TRP . 0.6 OUTLIER -83.66 179.45 7.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 1.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -91.99 -45.09 8.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 1.0 109.554 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.505 ' H ' ' ND2' ' A' ' 96' ' ' ASN . 1.1 p30 -92.55 29.38 1.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 1.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 96' ' ' ASN . . . 37.21 68.21 0.38 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.457 1.098 . . . . 1.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.47 -52.9 2.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 1.0 110.299 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.583 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 7.4 m95 -127.93 -174.53 3.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 1.0 107.996 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.452 ' SG ' ' CG1' ' A' ' 90' ' ' VAL . 10.3 t -136.14 151.86 50.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 1.0 108.332 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -115.62 145.04 43.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 1.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.465 ' CB ' HD22 ' A' ' 88' ' ' LEU . . . -135.28 157.05 47.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 1.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.421 ' CB ' HD11 ' A' ' 91' ' ' LEU . 42.6 tt0 -105.26 143.99 32.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 1.0 110.287 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.458 ' O ' ' C ' ' A' ' 105' ' ' LYS . 53.5 m -103.47 164.56 11.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 1.0 110.358 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 104' ' ' THR . 6.9 mtpp -34.44 -45.01 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 1.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -149.68 64.44 1.0 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 1.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 166.91 -166.58 39.22 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.513 1.133 . . . . 1.0 111.031 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.474 ' C ' ' CD1' ' A' ' 80' ' ' LEU . 4.2 mt-30 -152.78 148.76 27.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 0.796 . . . . 1.0 110.237 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.464 ' HA3' ' CB ' ' A' ' 80' ' ' LEU . . . -143.55 179.31 21.09 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.479 1.112 . . . . 1.0 111.045 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.644 ' CZ3' ' ND2' ' A' ' 94' ' ' ASN . 21.0 m95 -114.5 143.54 44.79 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.024 -1.102 . . . . 1.0 108.024 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.431 ' CG1' HD12 ' A' ' 116' ' ' ILE . 3.1 p -160.18 134.31 5.19 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 1.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.583 ' HD3' ' CZ3' ' A' ' 99' ' ' TRP . 18.3 Cg_endo -75.02 147.81 34.35 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.477 1.778 . . . . 1.0 110.955 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.51 -14.49 19.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 1.0 109.999 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -69.26 -37.75 78.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 1.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.451 ' CD2' ' HG2' ' A' ' 112' ' ' PRO . 11.2 m-85 -94.93 4.87 53.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 1.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.431 HD12 ' CG1' ' A' ' 111' ' ' VAL . 11.1 mt -115.09 150.43 17.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 1.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.506 ' CG2' ' HG ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -128.81 157.9 74.03 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 1.0 110.399 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 178.49 7.18 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.487 1.783 . . . . 1.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.516 ' CG2' ' N ' ' A' ' 120' ' ' SER . 1.5 p -68.45 -101.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 1.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.516 ' N ' ' CG2' ' A' ' 119' ' ' VAL . 75.5 m . . . . . 0 C--O 1.249 1.076 0 CA-C-O 117.02 -1.467 . . . . 1.0 109.993 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.423 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 47.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -126.42 118.54 25.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.423 ' CE2' ' HB3' ' A' ' 64' ' ' SER . 0.1 OUTLIER -120.53 146.59 46.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 1.0 110.999 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' A' ' 117' ' ' THR . 0.7 OUTLIER -104.83 153.67 6.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 1.0 109.324 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.433 ' HA ' ' CG2' ' A' ' 116' ' ' ILE . . . -69.88 129.13 38.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 1.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.558 ' CD1' ' CG2' ' A' ' 117' ' ' THR . 0.2 OUTLIER -87.93 -62.84 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 1.0 109.275 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -110.58 165.27 11.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 1.0 111.05 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -74.87 -169.93 0.99 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 1.0 109.345 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.571 ' CE1' HG22 ' A' ' 79' ' ' THR . 1.0 OUTLIER -147.4 137.94 23.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 1.0 110.987 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 75' ' ' SER . 7.1 p -103.22 146.9 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 1.0 109.36 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.46 ' N ' ' OG ' ' A' ' 81' ' ' SER . . . -70.45 60.08 0.2 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 1.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 73' ' ' VAL . 38.3 t -151.52 109.16 3.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 1.0 110.002 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 77' ' ' ASP . . . 156.15 43.19 0.02 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 1.0 110.958 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.442 ' O ' ' O ' ' A' ' 76' ' ' GLY . 0.2 OUTLIER 43.02 95.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 0.768 . . . . 1.0 109.335 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 61.18 96.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 1.0 109.276 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.571 HG22 ' CE1' ' A' ' 72' ' ' PHE . 0.4 OUTLIER -148.64 179.04 8.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 1.0 110.376 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.514 ' N ' ' CG2' ' A' ' 79' ' ' THR . 1.7 tt -131.9 120.05 22.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 1.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.46 ' OG ' ' N ' ' A' ' 74' ' ' ALA . 8.7 m -87.16 111.85 21.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 1.0 109.986 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.476 ' CD1' ' HB2' ' A' ' 72' ' ' PHE . 0.1 OUTLIER -119.72 177.33 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 1.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.9 m -104.47 158.06 16.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 1.0 110.405 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -72.48 165.92 23.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 1.0 109.278 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 40.0 28.1 0.14 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.524 1.14 . . . . 1.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 84' ' ' LYS . 0.3 OUTLIER -97.07 175.19 6.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 0.792 . . . . 1.0 110.3 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.91 85.57 5.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 1.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.515 ' CD2' ' C ' ' A' ' 88' ' ' LEU . 1.8 tt -143.02 119.72 11.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 1.0 109.332 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 9.1 mtt-85 -135.72 131.14 35.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 1.0 110.346 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.474 HG23 ' CG1' ' A' ' 111' ' ' VAL . 2.6 t -68.81 115.77 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 1.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.9 mt -118.99 14.13 13.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 1.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -141.33 145.08 15.38 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.495 1.122 . . . . 1.0 110.965 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -143.83 134.69 25.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 0.805 . . . . 1.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 99' ' ' TRP . 2.8 p30 -69.56 -168.05 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 1.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 96' ' ' ASN . 9.9 p-80 -85.43 -67.41 0.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 1.0 109.609 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.433 ' N ' ' OD1' ' A' ' 94' ' ' ASN . 75.4 m-80 -40.2 -70.06 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 1.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.413 ' CA ' HD22 ' A' ' 94' ' ' ASN . . . 123.79 38.3 0.54 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.505 1.128 . . . . 1.0 110.98 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -105.85 -35.75 7.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 0.738 . . . . 1.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.575 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 15.4 m95 -131.29 156.52 45.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 1.0 108.001 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.432 ' HB2' ' CG1' ' A' ' 90' ' ' VAL . 0.8 OUTLIER -135.56 137.61 42.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 1.0 108.303 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -79.76 140.36 36.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 1.0 110.315 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.474 ' CB ' HG12 ' A' ' 111' ' ' VAL . . . -128.48 156.06 43.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 1.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.4 ' HG2' ' NE2' ' A' ' 108' ' ' GLN . 5.2 mt-30 -121.48 129.5 52.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 1.0 110.351 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 36.8 p -129.05 164.38 23.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 1.0 110.385 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -68.82 -25.25 64.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 1.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.423 ' ND2' HG21 ' A' ' 82' ' ' ILE . 22.0 m-20 -73.31 -26.18 60.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.595 1.184 . . . . 1.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 159.77 -146.32 12.59 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 1.0 111.02 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.432 ' N ' HD13 ' A' ' 80' ' ' LEU . 32.9 mt-30 -146.49 129.53 16.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 0.76 . . . . 1.0 110.267 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -153.45 -166.87 15.09 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.495 1.122 . . . . 1.0 111.034 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.41 ' CE3' ' HB3' ' A' ' 99' ' ' TRP . 51.2 m95 -90.31 157.01 17.86 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.011 -1.107 . . . . 1.0 108.011 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.474 ' CG1' HG23 ' A' ' 90' ' ' VAL . 4.0 p -160.31 124.44 2.05 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 1.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.575 ' HD3' ' CZ3' ' A' ' 99' ' ' TRP . 18.3 Cg_endo -74.94 146.06 32.45 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.463 1.77 . . . . 1.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.482 ' HA ' ' CD1' ' A' ' 116' ' ' ILE . 0.1 OUTLIER -62.13 -15.47 45.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 1.0 110.008 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -76.98 -16.26 59.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 1.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -99.65 -4.83 30.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 1.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.482 ' CD1' ' HA ' ' A' ' 113' ' ' SER . 2.0 pp -133.87 161.08 41.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 1.0 109.275 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.558 ' CG2' ' CD1' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -141.99 154.83 65.56 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 1.0 110.395 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 167.82 26.12 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.451 1.764 . . . . 1.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.437 ' CG1' ' N ' ' A' ' 120' ' ' SER . 89.7 t -73.89 -110.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 1.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.437 ' N ' ' CG1' ' A' ' 119' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.114 0 CA-C-O 117.009 -1.472 . . . . 1.0 109.973 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.792 ' HB3' ' CZ ' ' A' ' 66' ' ' PHE . 47.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.491 ' O ' ' CG2' ' A' ' 119' ' ' VAL . 4.3 mm? -103.3 109.88 21.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.792 ' CZ ' ' HB3' ' A' ' 64' ' ' SER . 1.5 m-85 -115.84 158.1 23.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 1.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.463 ' HA ' ' O ' ' A' ' 88' ' ' LEU . 0.0 OUTLIER -129.28 139.71 51.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 1.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.491 ' CB ' ' HB3' ' A' ' 88' ' ' LEU . . . -68.0 138.01 55.55 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 1.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.456 ' CD1' HG22 ' A' ' 117' ' ' THR . 0.6 OUTLIER -91.71 -50.47 5.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 1.0 109.289 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -116.71 177.56 4.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 1.0 111.047 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -71.92 -176.22 1.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 1.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.614 ' CE1' ' O ' ' A' ' 73' ' ' VAL . 0.3 OUTLIER -102.66 161.3 13.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 1.0 110.991 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.614 ' O ' ' CE1' ' A' ' 72' ' ' PHE . 61.6 t -135.16 154.46 36.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 1.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -44.56 164.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 1.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -148.28 -172.5 4.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 1.0 110.004 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -83.89 -129.72 1.73 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.49 1.119 . . . . 1.0 110.99 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 78' ' ' ASN . 12.1 t0 -71.18 59.5 0.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 0.752 . . . . 1.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.496 ' CB ' ' O ' ' A' ' 77' ' ' ASP . 5.5 p30 154.95 118.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 1.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.69 149.21 44.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 1.0 110.363 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.598 ' O ' ' CD1' ' A' ' 72' ' ' PHE . 1.8 tt -136.08 114.96 12.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 1.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.6 m -79.58 104.23 10.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 1.0 109.983 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.479 HD11 ' CD2' ' A' ' 88' ' ' LEU . 0.0 OUTLIER -135.07 157.15 40.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 1.0 109.283 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.5 m -121.77 153.22 38.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 1.0 110.405 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -62.38 -177.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 1.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 84' ' ' LYS . . . 33.49 51.63 0.57 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.46 1.1 . . . . 1.0 110.983 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -145.74 175.29 10.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 0.761 . . . . 1.0 110.37 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.52 84.25 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 1.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.491 ' HB3' ' CB ' ' A' ' 68' ' ' ALA . 0.1 OUTLIER -122.81 97.83 5.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 1.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.3 129.2 41.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 1.0 110.257 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.545 HG12 ' CE1' ' A' ' 93' ' ' TYR . 41.6 t -69.5 135.75 27.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 1.0 109.255 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.6 mt -110.77 -38.19 5.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 1.0 109.343 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -131.81 166.24 23.14 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.466 1.104 . . . . 1.0 110.986 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.545 ' CE1' HG12 ' A' ' 90' ' ' VAL . 9.0 m-85 -129.48 163.93 24.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 0.783 . . . . 1.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.482 ' OD1' ' N ' ' A' ' 97' ' ' GLY . 20.3 p-10 -80.88 -156.85 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 1.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.418 ' N ' ' CG ' ' A' ' 94' ' ' ASN . 0.2 OUTLIER -108.06 -31.96 7.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 1.0 109.616 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.542 ' O ' ' C ' ' A' ' 97' ' ' GLY . 18.8 t-20 -90.59 31.39 1.04 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 1.0 109.246 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.542 ' C ' ' O ' ' A' ' 96' ' ' ASN . . . 24.6 50.83 0.03 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.482 1.114 . . . . 1.0 110.982 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 96' ' ' ASN . 0.4 OUTLIER -122.51 -54.06 1.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 0.743 . . . . 1.0 110.259 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.551 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 16.8 m95 -107.44 160.37 15.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 1.0 108.036 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.513 ' SG ' ' CD2' ' A' ' 93' ' ' TYR . 55.3 m -136.01 139.23 42.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 1.0 108.272 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.402 ' OE2' ' O ' ' A' ' 109' ' ' GLY . 17.2 tp10 -77.18 128.03 33.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 1.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.485 ' HB1' ' CG2' ' A' ' 111' ' ' VAL . . . -117.89 165.13 14.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 1.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -127.55 147.06 50.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 1.0 110.277 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 105' ' ' LYS . 0.9 OUTLIER -104.54 146.85 28.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 1.0 110.383 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 104' ' ' THR . 0.0 OUTLIER -36.87 -38.11 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 1.0 109.285 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -146.86 53.18 1.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 1.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 177.02 -172.66 45.6 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.539 1.149 . . . . 1.0 110.961 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -150.33 176.72 10.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 1.0 110.306 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.436 ' N ' HD13 ' A' ' 80' ' ' LEU . . . 158.3 179.58 33.28 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.472 1.108 . . . . 1.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.414 ' C ' ' CG1' ' A' ' 111' ' ' VAL . 26.1 m95 -97.61 150.69 20.87 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.003 -1.11 . . . . 1.0 108.003 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.485 ' CG2' ' HB1' ' A' ' 102' ' ' ALA . 0.9 OUTLIER -149.59 132.97 8.47 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.155 . . . . 1.0 109.288 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.551 ' HD3' ' CZ3' ' A' ' 99' ' ' TRP . 18.3 Cg_endo -75.02 139.83 24.68 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.459 1.768 . . . . 1.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 116' ' ' ILE . 0.5 OUTLIER -75.6 -9.05 58.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 1.0 110.023 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -72.68 -24.57 61.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 1.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -99.16 -2.48 36.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 1.0 111.014 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.443 HD13 ' CG2' ' A' ' 111' ' ' VAL . 39.8 mt -124.73 150.66 29.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 1.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.456 HG22 ' CD1' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -131.99 157.89 76.99 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 1.0 110.417 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 175.6 11.03 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.535 1.808 . . . . 1.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 65' ' ' LEU . 50.5 t -99.18 4.24 10.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.428 1.08 . . . . 1.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 83.8 p . . . . . 0 C--O 1.251 1.136 0 CA-C-O 117.0 -1.476 . . . . 1.0 110.007 180.0 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -114.57 119.44 36.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 109.345 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.481 ' N ' ' CD1' ' A' ' 66' ' ' PHE . 0.2 OUTLIER -116.45 152.01 34.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 1.0 111.028 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.461 ' HA ' ' O ' ' A' ' 88' ' ' LEU . 0.7 OUTLIER -118.22 146.08 23.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 1.0 109.325 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.468 ' HB1' ' CB ' ' A' ' 88' ' ' LEU . . . -66.24 129.35 39.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 1.0 109.262 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.474 ' CG ' HG23 ' A' ' 117' ' ' THR . 0.2 OUTLIER -75.55 -60.63 2.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 1.0 109.294 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -112.68 163.95 13.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 1.0 110.994 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 17.1 p30 -72.54 174.95 6.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 1.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.579 ' CE1' HG22 ' A' ' 79' ' ' THR . 3.8 t80 -121.31 121.24 37.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 1.0 110.961 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.9 p -135.09 23.87 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 1.0 109.314 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.29 176.02 7.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 1.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.6 t -150.14 171.8 16.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 1.0 109.966 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 77' ' ' ASP . . . 112.37 -140.34 16.18 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.464 1.103 . . . . 1.0 111.004 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 78' ' ' ASN . 1.8 p30 -52.21 -176.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 0.79 . . . . 1.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 77' ' ' ASP . 4.2 m-80 -38.73 129.01 1.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 1.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.579 HG22 ' CE1' ' A' ' 72' ' ' PHE . 0.5 OUTLIER -146.01 169.66 18.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 1.0 110.374 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.544 ' O ' ' CG ' ' A' ' 72' ' ' PHE . 1.1 tt -134.02 116.37 15.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 1.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.9 m -99.04 109.31 22.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 1.0 110.006 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.455 ' HB ' ' CD1' ' A' ' 88' ' ' LEU . 0.2 OUTLIER -136.34 -172.7 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 1.0 109.276 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.487 ' O ' ' CD1' ' A' ' 88' ' ' LEU . 17.0 m -118.1 161.19 20.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 1.0 110.389 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -75.43 172.07 13.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 1.0 109.322 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 40.12 28.09 0.15 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.456 1.098 . . . . 1.0 111.019 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -114.45 -177.38 3.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 0.774 . . . . 1.0 110.309 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.39 82.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 1.0 109.349 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.487 ' CD1' ' O ' ' A' ' 83' ' ' THR . 0.2 OUTLIER -127.44 90.41 3.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 1.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -120.24 127.79 52.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 1.0 110.304 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.583 HG13 ' CE1' ' A' ' 93' ' ' TYR . 24.4 t -71.27 144.13 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 1.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.503 ' CD1' ' OE1' ' A' ' 103' ' ' GLN . 4.3 mt -117.67 -41.62 2.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 1.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -127.01 169.92 18.86 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.436 1.085 . . . . 1.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.606 ' CE2' ' SG ' ' A' ' 100' ' ' CYS . 9.7 m-85 -134.02 175.69 9.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 0.761 . . . . 1.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.614 ' OD1' ' CH2' ' A' ' 110' ' ' TRP . 5.5 m-20 -78.01 -87.96 0.05 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.573 1.171 . . . . 1.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.543 ' CD2' ' O ' ' A' ' 94' ' ' ASN . 0.6 OUTLIER 163.07 38.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 1.0 109.65 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 95' ' ' HIS . 5.1 t30 174.28 39.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 1.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 39.77 62.39 1.43 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.522 1.139 . . . . 1.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -119.37 -69.74 0.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.749 . . . . 1.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.567 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 15.9 m95 -127.71 164.2 22.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 1.0 108.031 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.606 ' SG ' ' CE2' ' A' ' 93' ' ' TYR . 18.8 m -136.33 130.27 32.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 1.0 108.255 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.571 ' HG3' ' CD1' ' A' ' 110' ' ' TRP . 26.9 tt0 -80.03 134.2 36.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 1.0 110.352 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -132.58 159.78 38.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 1.0 109.298 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.503 ' OE1' ' CD1' ' A' ' 91' ' ' LEU . 1.5 mt-30 -123.76 151.36 43.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 1.0 110.241 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.416 HG21 ' N ' ' A' ' 105' ' ' LYS . 1.1 m -104.6 145.16 30.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 1.0 110.44 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.416 ' N ' HG21 ' A' ' 104' ' ' THR . 0.0 OUTLIER -39.9 -33.67 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 1.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.402 ' N ' ' HG2' ' A' ' 105' ' ' LYS . 28.9 m-20 -142.97 57.3 1.41 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 1.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 167.64 179.25 40.26 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.443 1.089 . . . . 1.0 110.987 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -150.19 164.52 35.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 0.749 . . . . 1.0 110.327 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.417 ' N ' HD13 ' A' ' 80' ' ' LEU . . . 166.39 178.1 38.83 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.477 1.111 . . . . 1.0 111.049 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.614 ' CH2' ' OD1' ' A' ' 94' ' ' ASN . 4.4 m95 -106.45 161.77 14.29 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.956 -1.127 . . . . 1.0 107.956 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.477 ' CG2' HD13 ' A' ' 116' ' ' ILE . 3.1 p -159.75 140.95 9.27 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 1.0 109.282 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.567 ' HD3' ' CZ3' ' A' ' 99' ' ' TRP . 18.4 Cg_endo -75.0 147.08 33.44 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 1.0 111.027 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.405 ' OG ' ' SG ' ' A' ' 100' ' ' CYS . 0.2 OUTLIER -72.05 -11.17 60.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 1.0 109.991 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -69.72 -30.95 68.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 1.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -94.84 -1.12 53.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 1.0 110.976 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.477 HD13 ' CG2' ' A' ' 111' ' ' VAL . 11.6 mt -120.16 147.48 23.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 1.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.474 HG23 ' CG ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -134.12 156.09 79.45 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.148 . . . . 1.0 110.422 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 171.04 19.09 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.515 1.798 . . . . 1.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.461 ' CG1' ' O ' ' A' ' 119' ' ' VAL . 35.4 t -98.91 3.92 10.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 1.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 24.7 p . . . . . 0 C--O 1.25 1.094 0 CA-C-O 117.013 -1.47 . . . . 1.0 109.984 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.503 ' O ' ' CG2' ' A' ' 119' ' ' VAL . 2.8 mm? -118.13 179.87 3.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 109.349 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.498 ' CE1' ' HB3' ' A' ' 118' ' ' PRO . 7.4 m-30 -116.52 167.05 11.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 1.0 110.964 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.6 144.48 37.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 1.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.447 ' CB ' ' HB3' ' A' ' 88' ' ' LEU . . . -72.03 129.95 39.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 1.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.474 ' HG ' ' CG2' ' A' ' 117' ' ' THR . 0.8 OUTLIER -91.28 -64.13 1.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.122 . . . . 1.0 109.341 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -100.51 165.25 11.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 1.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -86.53 169.08 13.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 1.078 . . . . 1.0 109.283 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.55 ' CE1' HG22 ' A' ' 79' ' ' THR . 2.6 t80 -117.95 143.37 46.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 1.0 110.943 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.4 ' O ' ' N ' ' A' ' 75' ' ' SER . 11.4 p -116.2 149.98 18.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 1.0 109.254 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.57 90.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 1.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 73' ' ' VAL . 29.0 t -150.13 125.7 10.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 1.0 109.989 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.0 169.19 39.53 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.486 1.117 . . . . 1.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 78' ' ' ASN . 6.9 t70 -84.49 156.96 21.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 1.0 109.312 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 77' ' ' ASP . 4.4 t30 39.9 65.74 0.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 1.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.55 HG22 ' CE1' ' A' ' 72' ' ' PHE . 0.3 OUTLIER -117.81 170.0 9.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 1.0 110.368 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.487 ' CD2' HD11 ' A' ' 82' ' ' ILE . 1.4 tt -137.12 124.67 22.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 1.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.411 ' N ' HD21 ' A' ' 80' ' ' LEU . 50.9 m -94.96 115.12 27.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 1.0 109.984 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.487 HD11 ' CD2' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -124.42 174.5 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 1.0 109.296 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -114.75 149.97 36.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 1.0 110.374 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -60.9 179.19 0.19 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 1.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 84' ' ' LYS . . . 34.57 42.27 0.3 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 1.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -122.33 154.29 37.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 0.748 . . . . 1.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.05 92.61 0.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 1.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.474 ' CD1' HG13 ' A' ' 82' ' ' ILE . 9.9 tt -136.15 114.72 11.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 1.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.15 137.71 51.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 1.0 110.323 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.4 t -69.95 139.72 19.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 1.0 109.324 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -108.47 -38.61 5.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 1.0 109.242 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 101' ' ' GLU . . . -137.43 156.05 23.3 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.464 1.102 . . . . 1.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -124.29 177.85 5.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 0.751 . . . . 1.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.654 ' ND2' ' CZ3' ' A' ' 110' ' ' TRP . 1.3 m-80 -72.43 177.97 4.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 1.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -86.06 -58.44 2.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 1.0 109.631 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -65.11 -55.89 16.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 1.0 109.283 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 127.06 64.37 0.15 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.522 1.139 . . . . 1.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -120.38 -51.76 2.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 0.764 . . . . 1.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.542 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 7.8 m95 -125.47 175.02 7.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.101 . . . . 1.0 108.033 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.406 ' O ' ' O ' ' A' ' 111' ' ' VAL . 1.4 p -136.05 143.65 44.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 1.0 108.297 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 92' ' ' GLY . 22.3 tt0 -91.99 136.98 32.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 1.0 110.313 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -133.43 153.38 51.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 1.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.427 ' CB ' ' HG3' ' A' ' 108' ' ' GLN . 16.6 tt0 -122.1 140.15 52.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 1.0 110.342 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 107' ' ' GLY . 48.7 p -124.08 167.32 14.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 1.0 110.405 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.41 -21.04 60.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 1.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -83.43 -20.25 34.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 1.0 109.346 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 104' ' ' THR . . . 162.06 -143.06 8.45 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 1.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.427 ' HG3' ' CB ' ' A' ' 103' ' ' GLN . 0.9 OUTLIER -150.77 160.62 43.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 0.781 . . . . 1.0 110.29 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.426 ' N ' HD11 ' A' ' 80' ' ' LEU . . . 178.41 -172.81 45.26 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.503 1.127 . . . . 1.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.654 ' CZ3' ' ND2' ' A' ' 94' ' ' ASN . 25.9 m95 -89.68 165.44 14.21 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.998 -1.112 . . . . 1.0 107.998 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.406 ' O ' ' O ' ' A' ' 100' ' ' CYS . 6.4 p -160.78 134.27 4.86 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 1.0 109.312 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.542 ' HD3' ' CZ3' ' A' ' 99' ' ' TRP . 18.4 Cg_endo -74.99 146.57 32.87 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.469 1.773 . . . . 1.0 111.055 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.444 ' O ' ' O ' ' A' ' 116' ' ' ILE . 5.8 t -71.38 -27.13 63.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 1.0 109.994 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -72.29 -4.13 27.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 1.0 109.291 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -111.81 -18.6 12.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 1.0 111.002 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.444 ' O ' ' O ' ' A' ' 113' ' ' SER . 4.8 mm -125.77 141.78 44.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 1.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.474 ' CG2' ' HG ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -126.04 158.32 66.49 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 1.0 110.373 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.498 ' HB3' ' CE1' ' A' ' 66' ' ' PHE . 18.2 Cg_endo -75.0 178.41 7.31 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.528 1.804 . . . . 1.0 111.055 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 65' ' ' LEU . 88.8 t -89.81 -110.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 1.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.463 ' N ' ' CG1' ' A' ' 119' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.094 0 CA-C-O 116.99 -1.481 . . . . 1.0 109.974 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.581 ' O ' ' CE1' ' A' ' 66' ' ' PHE . 47.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.416 HD11 ' N ' ' A' ' 66' ' ' PHE . 0.1 OUTLIER -96.82 115.41 27.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 109.309 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.581 ' CE1' ' O ' ' A' ' 64' ' ' SER . 0.7 OUTLIER -108.99 155.64 20.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 1.0 110.951 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -120.21 158.26 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 1.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.464 ' CB ' HD21 ' A' ' 88' ' ' LEU . . . -69.85 128.47 36.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 1.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.491 ' HB2' ' CG2' ' A' ' 117' ' ' THR . 13.8 tp -111.37 -81.54 0.58 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 1.0 109.347 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.453 ' N ' ' HG ' ' A' ' 69' ' ' LEU . 12.0 m-85 -70.68 163.02 27.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 1.0 111.026 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.68 169.07 11.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 1.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.563 ' CE1' HG22 ' A' ' 79' ' ' THR . 15.0 t80 -125.75 167.2 15.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 1.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.483 ' N ' ' CD1' ' A' ' 72' ' ' PHE . 8.8 p -125.98 145.41 33.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 1.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.94 144.49 18.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 1.0 109.327 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.5 m -131.51 177.31 7.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 1.0 110.005 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -104.96 55.61 0.57 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.445 1.09 . . . . 1.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 79' ' ' THR . 0.7 OUTLIER 174.7 -172.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 0.769 . . . . 1.0 109.277 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -56.01 88.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 1.143 . . . . 1.0 109.331 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.563 HG22 ' CE1' ' A' ' 72' ' ' PHE . 0.3 OUTLIER -132.77 170.37 15.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 1.0 110.432 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.462 ' N ' ' CG2' ' A' ' 79' ' ' THR . 1.2 tt -134.81 116.7 15.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 1.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.3 m -98.01 110.6 23.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 1.0 109.991 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.482 HG12 ' CD1' ' A' ' 88' ' ' LEU . 0.3 OUTLIER -131.61 -174.88 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 1.0 109.319 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.7 m -125.66 157.84 36.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 1.0 110.428 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.515 ' O ' ' C ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -57.25 -179.78 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 1.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.515 ' C ' ' O ' ' A' ' 84' ' ' LYS . . . 27.99 54.2 0.11 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.495 1.122 . . . . 1.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -121.23 162.0 20.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 0.782 . . . . 1.0 110.294 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.71 82.83 8.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 1.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.482 ' CD1' HG12 ' A' ' 82' ' ' ILE . 1.4 tt -144.71 123.07 12.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 1.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 31.2 mtm-85 -135.55 147.76 48.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 1.0 110.306 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.458 ' CG1' ' HB3' ' A' ' 100' ' ' CYS . 9.4 t -69.82 127.17 31.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 1.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.412 ' HB2' ' NE2' ' A' ' 103' ' ' GLN . 3.3 mt -105.91 -31.05 8.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 1.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -136.17 168.03 24.2 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 1.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.573 ' N ' ' CD1' ' A' ' 93' ' ' TYR . 0.1 OUTLIER -131.67 161.97 31.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 0.774 . . . . 1.0 111.033 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.471 ' O ' ' CB ' ' A' ' 95' ' ' HIS . 2.8 p30 -77.68 -18.13 56.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.153 . . . . 1.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.471 ' CB ' ' O ' ' A' ' 94' ' ' ASN . 0.5 OUTLIER 85.23 80.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 1.0 109.575 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 170.94 -48.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 1.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 111.61 38.36 1.46 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.54 1.15 . . . . 1.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -120.32 -62.35 1.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 0.781 . . . . 1.0 110.307 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.447 ' CE2' ' HB3' ' A' ' 112' ' ' PRO . 16.3 m95 -125.49 154.57 41.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 1.0 107.969 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.458 ' HB3' ' CG1' ' A' ' 90' ' ' VAL . 97.8 m -135.33 143.87 46.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 1.0 108.256 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -84.17 134.04 34.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 1.0 110.328 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -135.13 168.06 19.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 1.0 109.334 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.412 ' NE2' ' HB2' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -111.71 162.45 15.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 1.0 110.327 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.443 ' HB ' ' CA ' ' A' ' 107' ' ' GLY . 3.3 m -104.88 157.48 17.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 1.0 110.4 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 104' ' ' THR . 1.5 ttpt -39.75 -37.74 0.57 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 1.0 109.252 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -150.29 34.93 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 1.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.443 ' CA ' ' HB ' ' A' ' 104' ' ' THR . . . -159.9 -156.32 8.09 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.137 . . . . 1.0 110.985 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -151.28 176.5 11.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 0.774 . . . . 1.0 110.295 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.427 ' CA ' HD13 ' A' ' 80' ' ' LEU . . . 155.36 -174.7 33.46 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.105 . . . . 1.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 21.7 m95 -97.97 167.17 11.07 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.005 -1.109 . . . . 1.0 108.005 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.2 p -159.19 119.9 1.79 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 1.0 109.339 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.548 ' HG2' ' CD1' ' A' ' 115' ' ' TYR . 18.2 Cg_endo -75.01 145.15 31.05 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.527 1.804 . . . . 1.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 116' ' ' ILE . 30.4 t -69.74 -14.93 63.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 1.0 109.984 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -71.56 -22.39 61.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 1.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.548 ' CD1' ' HG2' ' A' ' 112' ' ' PRO . 29.6 m-85 -106.39 -2.36 22.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 1.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.413 ' CD1' ' HA ' ' A' ' 68' ' ' ALA . 7.3 mm -124.81 142.2 42.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 1.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.491 ' CG2' ' HB2' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -123.66 159.44 55.62 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 1.0 110.36 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 170.72 19.8 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.446 1.761 . . . . 1.0 111.014 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 93.0 t -83.33 4.66 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 1.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.1 p . . . . . 0 C--O 1.251 1.135 0 CA-C-O 116.987 -1.482 . . . . 1.0 109.99 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.48 ' O ' ' CG2' ' A' ' 119' ' ' VAL . 4.3 mm? -72.86 -179.15 3.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.567 ' CD1' ' HB ' ' A' ' 90' ' ' VAL . 0.9 OUTLIER -113.08 156.97 22.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 1.0 110.962 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -121.47 141.37 42.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 1.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.456 ' CB ' HD21 ' A' ' 88' ' ' LEU . . . -70.58 139.9 51.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 1.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.479 ' HG ' ' CG2' ' A' ' 117' ' ' THR . 1.7 mt -107.77 -74.32 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 1.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -94.24 166.28 12.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 1.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.1 p-10 -91.73 173.88 7.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 1.0 109.262 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -138.41 139.84 39.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 1.0 111.03 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.8 p -125.33 101.07 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 1.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.38 -174.85 2.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 1.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 90.4 p -144.98 62.77 1.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 1.0 110.003 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 54.37 90.1 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.505 1.128 . . . . 1.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -168.46 -179.07 3.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 1.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -63.88 -13.08 42.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 1.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.403 ' CG2' ' N ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -69.82 165.64 21.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 1.0 110.423 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.515 ' CD1' ' C ' ' A' ' 108' ' ' GLN . 3.7 tt -135.82 117.64 15.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 1.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.488 ' O ' ' CD2' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -73.66 178.84 4.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 1.0 109.959 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.558 ' CD1' ' CD1' ' A' ' 88' ' ' LEU . 0.1 OUTLIER -152.05 162.34 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 1.0 109.34 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.3 m -104.83 152.09 23.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 1.0 110.393 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.472 ' O ' ' C ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -66.33 174.72 2.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 1.0 109.289 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.472 ' C ' ' O ' ' A' ' 84' ' ' LYS . . . 32.07 41.24 0.09 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.513 1.133 . . . . 1.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 84' ' ' LYS . 11.0 tp10 -111.07 151.34 28.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 1.0 110.254 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.44 86.42 6.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 1.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.558 ' CD1' ' CD1' ' A' ' 82' ' ' ILE . 0.4 OUTLIER -121.19 127.81 51.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 1.0 109.27 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 10.6 mtp85 -135.44 137.35 42.14 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.462 1.101 . . . . 1.0 110.307 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.567 ' HB ' ' CD1' ' A' ' 66' ' ' PHE . 98.4 t -78.2 111.53 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 1.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.1 mt -113.23 -7.94 13.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 1.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -123.2 154.21 17.18 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.504 1.128 . . . . 1.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -143.69 146.82 33.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 0.783 . . . . 1.0 110.977 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.448 ' OD1' ' N ' ' A' ' 96' ' ' ASN . 6.1 p30 -69.91 -161.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.084 . . . . 1.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -120.34 66.7 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 1.0 109.597 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.448 ' N ' ' OD1' ' A' ' 94' ' ' ASN . 8.1 t30 172.17 -63.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 1.0 109.33 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 132.04 45.28 0.14 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.523 1.139 . . . . 1.0 110.958 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -109.96 -48.62 3.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 0.76 . . . . 1.0 110.262 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.543 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 10.1 m95 -136.32 166.58 23.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 1.0 108.018 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.41 ' O ' HG13 ' A' ' 111' ' ' VAL . 33.8 m -136.36 142.98 43.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 1.0 108.273 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -85.19 136.12 33.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 1.0 110.297 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.469 ' CB ' HG12 ' A' ' 111' ' ' VAL . . . -135.2 169.95 16.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 1.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -106.68 150.68 26.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 1.0 110.329 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 105' ' ' LYS . 1.7 m -114.17 162.92 15.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 1.0 110.428 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 104' ' ' THR . 8.4 mtmt -37.32 -58.29 0.84 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 1.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -137.11 49.34 2.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 1.0 109.347 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -174.12 176.54 46.54 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.55 1.156 . . . . 1.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.515 ' C ' ' CD1' ' A' ' 80' ' ' LEU . 3.5 tt0 -153.28 136.54 15.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 0.73 . . . . 1.0 110.296 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.441 ' N ' HD11 ' A' ' 80' ' ' LEU . . . -165.94 -161.01 14.02 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.557 1.161 . . . . 1.0 111.018 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 39.3 m95 -83.37 160.24 21.67 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.984 -1.117 . . . . 1.0 107.984 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.469 HG12 ' CB ' ' A' ' 102' ' ' ALA . 3.6 p -160.06 126.25 2.42 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 1.0 109.352 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.543 ' HD3' ' CZ3' ' A' ' 99' ' ' TRP . 18.3 Cg_endo -74.91 140.47 25.75 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.475 1.777 . . . . 1.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.424 ' O ' ' O ' ' A' ' 116' ' ' ILE . 43.2 t -74.88 -8.36 56.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 1.0 110.002 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -70.43 -27.68 64.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 1.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -98.49 -5.25 32.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 1.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.424 ' O ' ' O ' ' A' ' 113' ' ' SER . 13.3 mt -121.97 163.64 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 1.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.479 ' CG2' ' HG ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -141.96 154.78 65.58 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.429 1.081 . . . . 1.0 110.398 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 177.96 7.87 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.445 1.761 . . . . 1.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.48 ' CG2' ' O ' ' A' ' 65' ' ' LEU . 74.9 t -105.32 4.46 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 1.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 42.6 m . . . . . 0 C--O 1.249 1.062 0 CA-C-O 117.06 -1.448 . . . . 1.0 109.966 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -102.28 178.11 4.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.486 ' CD1' ' N ' ' A' ' 66' ' ' PHE . 0.1 OUTLIER -121.64 152.86 38.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 1.0 111.004 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -121.36 153.03 25.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 1.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.508 ' CB ' ' CD2' ' A' ' 88' ' ' LEU . . . -74.77 98.05 3.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 1.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.473 ' CD1' HG22 ' A' ' 117' ' ' THR . 0.1 OUTLIER -84.94 -41.0 16.33 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 1.0 109.265 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -97.49 163.08 13.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 1.0 110.985 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.76 154.48 17.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 1.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.616 ' CZ ' ' CB ' ' A' ' 74' ' ' ALA . 8.5 t80 -126.85 122.01 33.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 1.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.9 t -134.56 44.06 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 1.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.616 ' CB ' ' CZ ' ' A' ' 72' ' ' PHE . . . -75.2 174.27 9.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 1.0 109.297 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 59.5 p -148.61 121.5 8.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 1.0 109.959 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 172.41 -147.72 10.13 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.512 1.132 . . . . 1.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 78' ' ' ASN . 3.3 m-20 -105.35 152.94 22.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 0.752 . . . . 1.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 77' ' ' ASP . 7.3 m120 39.97 69.52 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 1.0 109.31 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.463 ' CG2' ' N ' ' A' ' 80' ' ' LEU . 0.5 OUTLIER -127.4 170.0 13.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 1.0 110.401 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.463 ' N ' ' CG2' ' A' ' 79' ' ' THR . 1.4 tt -134.9 116.67 15.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 1.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.0 m -106.88 112.49 25.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 1.0 110.008 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.25 -178.42 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 1.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.5 m -121.84 159.26 27.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 1.0 110.397 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.484 ' O ' ' C ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -62.21 -176.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 1.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.484 ' C ' ' O ' ' A' ' 84' ' ' LYS . . . 30.56 43.97 0.08 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.484 1.115 . . . . 1.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -118.8 156.75 28.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 0.739 . . . . 1.0 110.285 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.52 84.2 7.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 1.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.508 ' CD2' ' CB ' ' A' ' 68' ' ' ALA . 0.1 OUTLIER -141.36 122.25 14.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 1.0 109.308 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.462 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -132.85 153.25 51.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 1.0 110.342 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 77.3 t -69.93 135.28 28.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 1.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.37 -43.14 5.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 1.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -146.6 163.13 28.53 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.509 1.13 . . . . 1.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -121.29 155.74 34.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.767 . . . . 1.0 111.03 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 95' ' ' HIS . 0.4 OUTLIER -72.66 175.96 5.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 1.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.472 ' O ' ' CB ' ' A' ' 96' ' ' ASN . 36.0 t-80 -73.27 58.17 0.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 1.0 109.603 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 95' ' ' HIS . 0.9 OUTLIER 157.88 177.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.128 . . . . 1.0 109.321 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -99.77 63.75 0.66 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.468 1.105 . . . . 1.0 110.969 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -120.72 -63.43 1.35 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 0.759 . . . . 1.0 110.28 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.467 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 14.6 m95 -135.24 159.92 40.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 1.0 107.98 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 14.3 m -136.11 142.11 44.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 1.0 108.293 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -79.1 132.69 36.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 1.0 110.307 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.429 ' CB ' HG12 ' A' ' 111' ' ' VAL . . . -132.25 163.88 27.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 1.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.476 ' CG ' ' HG3' ' A' ' 108' ' ' GLN . 34.3 mt-30 -126.2 161.78 26.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 1.0 110.252 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 107' ' ' GLY . 4.5 p -134.76 166.82 22.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 1.0 110.427 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.469 ' C ' ' O ' ' A' ' 104' ' ' THR . 4.4 tptt -35.65 -60.37 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 1.0 109.342 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -136.9 56.77 1.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 1.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.489 ' O ' ' N ' ' A' ' 104' ' ' THR . . . -176.29 148.64 9.28 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.492 1.12 . . . . 1.0 111.053 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.476 ' HG3' ' CG ' ' A' ' 103' ' ' GLN . 44.5 tt0 -150.75 151.35 32.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 0.74 . . . . 1.0 110.329 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 172.51 -160.21 31.33 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.501 1.126 . . . . 1.0 111.016 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 29.1 m95 -84.15 146.08 28.05 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.0 -1.111 . . . . 1.0 108.0 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.429 HG12 ' CB ' ' A' ' 102' ' ' ALA . 1.2 p -148.21 124.96 5.47 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 1.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.556 ' HG2' ' CD1' ' A' ' 115' ' ' TYR . 18.3 Cg_endo -75.02 144.61 30.37 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.465 1.771 . . . . 1.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.439 ' O ' ' O ' ' A' ' 116' ' ' ILE . 0.1 OUTLIER -75.0 -14.27 60.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 1.0 109.993 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -74.08 -14.99 61.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 1.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.556 ' CD1' ' HG2' ' A' ' 112' ' ' PRO . 13.7 m-85 -104.05 -10.79 17.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 1.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.439 ' O ' ' O ' ' A' ' 113' ' ' SER . 13.1 mt -124.04 143.29 37.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 1.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.473 HG22 ' CD1' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -131.86 158.66 74.84 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 1.0 110.409 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 168.19 25.39 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.51 1.795 . . . . 1.0 111.038 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.451 ' CG1' ' N ' ' A' ' 120' ' ' SER . 87.6 t -76.66 -110.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 1.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.451 ' N ' ' CG1' ' A' ' 119' ' ' VAL . 26.2 m . . . . . 0 C--O 1.251 1.136 0 CA-C-O 116.934 -1.508 . . . . 1.0 109.99 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.546 ' N ' HD22 ' A' ' 65' ' ' LEU . 1.8 mm? . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.33 -0.618 . . . . 1.0 109.33 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.449 ' HA ' ' HA ' ' A' ' 118' ' ' PRO . 0.3 OUTLIER -115.9 153.75 30.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 1.0 110.973 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.953 ' O ' HG23 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -118.35 162.51 16.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 1.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.786 ' HB2' ' HB3' ' A' ' 88' ' ' LEU . . . -68.98 132.16 46.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 1.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.483 ' HB2' ' CG2' ' A' ' 117' ' ' THR . 10.4 tp -113.13 -79.3 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 1.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.43 ' N ' ' HG ' ' A' ' 69' ' ' LEU . 10.9 m-85 -79.93 163.85 23.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 1.0 110.99 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -87.58 176.73 7.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 1.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.448 ' CB ' HD12 ' A' ' 82' ' ' ILE . 6.6 t80 -136.46 167.28 21.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 1.0 110.974 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.418 ' N ' ' CD1' ' A' ' 72' ' ' PHE . 88.6 t -127.21 143.22 41.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 1.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.54 158.55 1.76 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.54 1.15 . . . . 1.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.9 t -149.1 -57.95 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 1.0 110.015 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -164.35 -155.26 8.26 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.505 1.128 . . . . 1.0 110.978 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.4 ' O ' ' CG ' ' A' ' 78' ' ' ASN . 4.9 t70 -93.6 60.07 2.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 0.793 . . . . 1.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.4 ' CG ' ' O ' ' A' ' 77' ' ' ASP . 15.7 m-80 -163.47 -43.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 1.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.557 HG23 ' N ' ' A' ' 80' ' ' LEU . 0.3 OUTLIER -69.63 173.88 5.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 1.0 110.374 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.799 ' CD2' HG21 ' A' ' 104' ' ' THR . 1.6 tt -133.96 117.54 16.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 1.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.1 m -93.63 111.93 23.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 1.0 109.974 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.633 ' H ' HD12 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -130.62 -177.72 2.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.12 . . . . 1.0 109.358 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.0 m -106.58 170.13 8.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 1.0 110.378 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -72.55 161.58 30.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 1.0 109.24 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 37.66 30.12 0.06 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 1.0 110.982 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.741 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 1.5 tt0 -83.17 160.64 21.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 0.755 . . . . 1.0 110.293 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.0 84.42 6.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 1.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.805 HD23 ' O ' ' A' ' 88' ' ' LEU . 0.6 OUTLIER -140.52 113.82 8.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 1.0 109.296 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.485 ' HE ' HD12 ' A' ' 65' ' ' LEU . 24.3 ttt-85 -118.07 146.29 44.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 1.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 89.3 t -70.64 134.77 29.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 1.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.482 ' HA ' HD23 ' A' ' 91' ' ' LEU . 2.7 mt -107.26 -40.3 5.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 1.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -138.14 166.79 25.12 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.519 1.137 . . . . 1.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -120.28 174.94 6.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.766 . . . . 1.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -92.56 21.86 5.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 1.0 109.256 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 69.26 36.73 2.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 1.0 109.597 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -176.99 -175.38 0.59 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 1.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -106.26 54.7 0.57 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.486 1.116 . . . . 1.0 110.965 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -120.31 -66.9 1.02 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 0.806 . . . . 1.0 110.315 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.559 ' CZ2' ' HB3' ' A' ' 112' ' ' PRO . 19.8 m95 -135.3 156.27 49.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 1.0 108.006 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.436 ' O ' HG22 ' A' ' 111' ' ' VAL . 4.4 m -136.04 140.99 44.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 1.0 108.286 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.19 134.87 35.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 1.0 110.332 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.868 ' HB3' HG11 ' A' ' 111' ' ' VAL . . . -134.3 163.11 30.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 1.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.44 ' CD ' HD12 ' A' ' 91' ' ' LEU . 32.8 mt-30 -115.87 161.69 18.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 1.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.799 HG21 ' CD2' ' A' ' 80' ' ' LEU . 4.2 p -135.46 145.97 47.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 1.0 110.395 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.56 -21.87 29.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 1.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -86.77 -40.11 15.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 1.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 104' ' ' THR . . . -171.64 -131.3 1.33 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.481 1.113 . . . . 1.0 110.962 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -148.71 178.69 8.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 0.783 . . . . 1.0 110.346 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.658 ' N ' HD12 ' A' ' 80' ' ' LEU . . . 158.1 -177.48 34.8 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.554 1.159 . . . . 1.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 26.6 m95 -88.46 155.33 19.73 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.985 -1.117 . . . . 1.0 107.985 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.868 HG11 ' HB3' ' A' ' 102' ' ' ALA . 1.0 OUTLIER -147.39 123.5 5.46 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 1.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.565 ' HG2' ' CD1' ' A' ' 115' ' ' TYR . 18.3 Cg_endo -75.04 145.52 31.41 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.451 1.764 . . . . 1.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.425 ' O ' ' O ' ' A' ' 116' ' ' ILE . 0.3 OUTLIER -68.88 -19.22 64.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 1.0 109.994 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.37 -11.33 60.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 1.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.565 ' CD1' ' HG2' ' A' ' 112' ' ' PRO . 5.4 m-85 -105.63 -10.11 16.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 1.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.953 HG23 ' O ' ' A' ' 67' ' ' VAL . 3.6 mt -127.82 143.17 41.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 1.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.483 ' CG2' ' HB2' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -123.28 160.11 51.63 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 1.0 110.373 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.449 ' HA ' ' HA ' ' A' ' 66' ' ' PHE . 18.3 Cg_endo -74.96 168.82 23.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.505 1.792 . . . . 1.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.534 ' O ' HG12 ' A' ' 119' ' ' VAL . 95.8 t -83.58 4.74 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 1.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 9.3 t . . . . . 0 C--O 1.249 1.069 0 CA-C-O 116.975 -1.488 . . . . 1.0 110.02 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.452 HD13 ' HA ' ' A' ' 65' ' ' LEU . 4.2 mm? . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.301 -0.629 . . . . 1.0 109.301 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.413 ' CD1' ' N ' ' A' ' 66' ' ' PHE . 0.1 OUTLIER -119.88 151.35 39.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 1.0 111.044 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 117' ' ' THR . 0.2 OUTLIER -111.39 -175.97 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 1.0 109.292 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.876 ' HB2' ' HB3' ' A' ' 88' ' ' LEU . . . -68.14 133.35 48.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 1.0 109.34 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.647 ' HB2' HG22 ' A' ' 117' ' ' THR . 14.9 tp -101.62 -81.66 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 1.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.437 ' N ' ' HG ' ' A' ' 69' ' ' LEU . 9.2 m-85 -99.26 163.95 12.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 1.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.4 168.02 20.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.16 . . . . 1.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.618 ' CE2' ' O ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -104.78 153.17 21.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 1.0 110.984 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 84.1 t -119.1 139.98 44.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 1.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -45.58 147.71 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 1.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.531 ' CB ' HG21 ' A' ' 79' ' ' THR . 0.3 OUTLIER -149.0 170.02 19.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 1.0 109.965 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 77' ' ' ASP . . . -96.17 -82.9 1.64 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.545 1.153 . . . . 1.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 78' ' ' ASN . 10.3 p-10 -46.04 170.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 0.765 . . . . 1.0 109.318 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 77' ' ' ASP . 6.4 m120 -39.3 110.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 1.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.547 HG23 ' N ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -142.54 174.02 11.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 1.0 110.395 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.963 HD22 ' CG1' ' A' ' 82' ' ' ILE . 1.0 OUTLIER -132.12 117.35 18.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 1.0 109.31 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.1 m -97.68 109.37 22.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 1.0 110.028 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.963 ' CG1' HD22 ' A' ' 80' ' ' LEU . 1.2 mt -136.44 175.02 11.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 1.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.52 ' H ' HG22 ' A' ' 82' ' ' ILE . 5.2 m -123.61 157.93 32.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 1.0 110.376 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.49 ' HG2' ' N ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -68.39 -177.36 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 1.0 109.324 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.49 ' N ' ' HG2' ' A' ' 84' ' ' LYS . . . 34.93 44.01 0.46 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.499 1.124 . . . . 1.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.44 ' OE2' ' NZ ' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -136.46 175.07 9.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 0.738 . . . . 1.0 110.318 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -69.29 70.3 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 1.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.876 ' HB3' ' HB2' ' A' ' 68' ' ' ALA . 0.2 OUTLIER -128.36 102.09 6.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 1.0 109.242 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 14.5 mtt-85 -136.59 141.36 43.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 1.0 110.288 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.715 ' CG2' HD12 ' A' ' 116' ' ' ILE . 7.3 t -68.09 114.91 5.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 1.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.4 mt -115.72 4.48 14.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 1.0 109.259 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -148.44 155.88 26.61 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.557 1.16 . . . . 1.0 111.016 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -134.53 156.55 48.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 1.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.524 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 0.2 OUTLIER -69.63 -74.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 1.0 109.264 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.524 ' CG ' ' O ' ' A' ' 94' ' ' ASN . 1.0 OUTLIER 165.69 -67.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 1.0 109.635 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.482 ' H ' ' ND2' ' A' ' 96' ' ' ASN . 1.6 p30 -65.81 -52.36 51.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 1.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 134.26 61.01 0.07 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.447 1.092 . . . . 1.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -117.35 -61.01 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 1.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.587 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 9.1 m95 -131.6 172.8 11.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 1.0 107.998 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 82.2 m -135.71 140.03 44.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 1.0 108.301 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -76.42 133.83 39.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 1.0 110.263 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.561 ' HB3' ' CG1' ' A' ' 111' ' ' VAL . . . -120.43 162.97 18.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.157 . . . . 1.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.441 ' CG ' ' HG3' ' A' ' 108' ' ' GLN . 1.8 mt-30 -134.45 143.1 47.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.08 . . . . 1.0 110.312 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.84 ' CG2' HD21 ' A' ' 80' ' ' LEU . 0.7 OUTLIER -104.71 156.88 17.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 1.0 110.398 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.44 ' NZ ' ' OE2' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -37.97 -45.62 0.9 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 1.0 109.292 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -141.96 65.84 1.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 1.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 167.13 -172.33 42.15 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.494 1.121 . . . . 1.0 110.981 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.473 ' HB2' HE21 ' A' ' 108' ' ' GLN . 0.0 OUTLIER -151.96 -176.44 5.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 0.767 . . . . 1.0 110.323 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.42 ' CA ' HD12 ' A' ' 80' ' ' LEU . . . 160.01 179.91 35.11 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 1.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.474 ' C ' ' CG1' ' A' ' 111' ' ' VAL . 12.4 m95 -104.38 151.01 24.0 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.021 -1.103 . . . . 1.0 108.021 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.561 ' CG1' ' HB3' ' A' ' 102' ' ' ALA . 0.9 OUTLIER -152.88 145.65 17.4 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 1.0 109.297 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.587 ' HD3' ' CZ3' ' A' ' 99' ' ' TRP . 18.2 Cg_endo -75.01 161.49 38.67 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.529 1.805 . . . . 1.0 110.987 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.639 ' HA ' HD11 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -75.33 -29.65 60.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 1.0 110.018 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -80.29 4.3 18.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 1.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.587 ' CD1' ' HG2' ' A' ' 112' ' ' PRO . 0.0 OUTLIER -96.71 -12.48 23.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 1.0 111.014 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.715 HD12 ' CG2' ' A' ' 90' ' ' VAL . 0.1 OUTLIER -121.83 171.52 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 1.0 109.312 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.647 HG22 ' HB2' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -134.34 148.54 68.1 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 1.0 110.386 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 117' ' ' THR . 18.3 Cg_endo -74.97 167.16 27.67 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.479 1.778 . . . . 1.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.545 ' O ' HG12 ' A' ' 119' ' ' VAL . 79.3 t -97.89 4.55 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 1.0 109.334 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 117.014 -1.47 . . . . 1.0 109.982 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.604 ' O ' HG23 ' A' ' 119' ' ' VAL . 3.0 mm? . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.314 -0.625 . . . . 1.0 109.314 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.571 ' CD2' ' HB3' ' A' ' 118' ' ' PRO . 3.2 m-85 -116.31 160.94 19.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 1.0 110.955 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.601 HG22 HG22 ' A' ' 119' ' ' VAL . 0.0 OUTLIER -129.67 141.88 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 1.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.855 ' HA ' HG23 ' A' ' 116' ' ' ILE . . . -69.76 134.2 48.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 1.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.458 ' CD1' HG21 ' A' ' 117' ' ' THR . 0.8 OUTLIER -90.44 -57.11 2.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 1.0 109.252 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -103.76 166.74 10.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 1.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -78.3 -173.99 3.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 1.0 109.284 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.61 ' CE1' ' HA ' ' A' ' 81' ' ' SER . 0.0 OUTLIER -102.53 158.0 16.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 1.0 111.013 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 75' ' ' SER . 53.4 t -135.35 110.43 11.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.493 1.121 . . . . 1.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -48.07 94.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 1.0 109.325 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 73' ' ' VAL . 0.2 OUTLIER -150.5 103.82 3.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 1.0 110.011 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 128.66 173.94 13.58 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.493 1.121 . . . . 1.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.531 ' O ' ' ND2' ' A' ' 78' ' ' ASN . 29.1 t0 -112.8 52.01 0.8 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 1.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' A' ' 77' ' ' ASP . 0.5 OUTLIER 168.01 41.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 1.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.609 HG23 ' N ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -104.55 176.84 5.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 1.0 110.377 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.884 HD12 ' C ' ' A' ' 108' ' ' GLN . 3.7 tt -135.85 119.94 17.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 1.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.61 ' HA ' ' CE1' ' A' ' 72' ' ' PHE . 20.1 m -71.88 110.52 6.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 1.0 109.999 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.97 HD12 HD11 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -133.95 157.69 42.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 1.0 109.322 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -113.05 148.6 34.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 1.0 110.455 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -58.07 -175.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 1.0 109.292 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 84' ' ' LYS . . . 34.09 38.73 0.11 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 1.0 111.037 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.401 ' HG2' ' NZ ' ' A' ' 105' ' ' LYS . 2.6 tt0 -126.25 174.1 8.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 1.0 110.249 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.403 ' HE2' ' NH2' ' A' ' 89' ' ' ARG . 0.1 OUTLIER -69.11 80.83 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 1.0 109.328 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.97 HD11 HD12 ' A' ' 82' ' ' ILE . 2.7 tt -129.26 102.5 6.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 1.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.403 ' NH2' ' HE2' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -135.08 142.05 46.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 1.0 110.336 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.488 ' HB ' ' CD1' ' A' ' 66' ' ' PHE . 69.9 t -69.56 142.77 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 1.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.674 HD12 ' HB2' ' A' ' 103' ' ' GLN . 3.5 mt -110.9 -45.99 3.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 1.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -148.2 163.68 28.93 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.537 1.148 . . . . 1.0 110.946 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.463 ' N ' ' CD1' ' A' ' 93' ' ' TYR . 0.2 OUTLIER -119.0 146.78 44.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 0.775 . . . . 1.0 110.988 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 95' ' ' HIS . 0.5 OUTLIER -71.05 171.68 10.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 1.0 109.287 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.454 ' N ' ' OD1' ' A' ' 94' ' ' ASN . 17.8 m170 -38.35 -80.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 1.0 109.646 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.449 ' ND2' ' OE2' ' A' ' 98' ' ' GLU . 3.5 p-10 -69.92 178.39 2.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 1.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -102.09 68.62 0.38 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.115 . . . . 1.0 111.016 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.449 ' OE2' ' ND2' ' A' ' 96' ' ' ASN . 23.3 mt-10 -119.92 -59.35 1.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 0.801 . . . . 1.0 110.267 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.452 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 19.4 m95 -128.26 157.56 40.57 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.018 -1.104 . . . . 1.0 108.018 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 25.4 m -135.45 143.36 45.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 1.0 108.316 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -79.87 131.3 35.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 1.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.744 ' HB2' HG11 ' A' ' 111' ' ' VAL . . . -119.46 160.59 22.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 1.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.674 ' HB2' HD12 ' A' ' 91' ' ' LEU . 20.4 tt0 -117.85 138.48 52.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 1.0 110.25 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 105' ' ' LYS . 23.4 m -104.52 150.84 24.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 1.0 110.417 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 104' ' ' THR . 0.0 OUTLIER -39.05 -44.85 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 1.0 109.296 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -142.1 62.24 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 1.0 109.245 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 164.25 174.49 34.09 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.46 1.1 . . . . 1.0 110.975 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.884 ' C ' HD12 ' A' ' 80' ' ' LEU . 2.6 mt-30 -151.52 149.49 29.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.761 . . . . 1.0 110.315 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -171.58 -169.56 34.59 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.499 1.124 . . . . 1.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 41.8 m95 -91.12 153.65 19.92 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.995 -1.113 . . . . 1.0 107.995 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.744 HG11 ' HB2' ' A' ' 102' ' ' ALA . 2.1 p -153.46 122.31 3.16 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 1.0 109.339 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.452 ' HD3' ' CZ3' ' A' ' 99' ' ' TRP . 18.4 Cg_endo -74.97 143.3 29.01 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.476 1.777 . . . . 1.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.45 ' O ' ' O ' ' A' ' 116' ' ' ILE . 0.4 OUTLIER -70.67 -25.03 62.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 1.0 110.037 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.421 ' ND2' ' HB2' ' A' ' 112' ' ' PRO . 2.6 p30 -69.56 -9.13 52.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 1.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.736 ' O ' HD13 ' A' ' 116' ' ' ILE . 1.7 m-85 -112.62 -18.57 12.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 1.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.855 HG23 ' HA ' ' A' ' 68' ' ' ALA . 3.8 mm -124.46 137.36 57.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 1.0 109.344 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.458 HG21 ' CD1' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -120.34 159.79 46.28 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 1.0 110.378 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.571 ' HB3' ' CD2' ' A' ' 66' ' ' PHE . 18.3 Cg_endo -75.01 178.83 6.75 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.474 1.776 . . . . 1.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 65' ' ' LEU . 82.8 t -102.75 4.58 10.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 1.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 C--O 1.25 1.092 0 CA-C-O 116.992 -1.48 . . . . 1.0 110.019 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.565 ' O ' HG23 ' A' ' 119' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.324 -0.621 . . . . 1.0 109.324 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.465 ' HA ' HG23 ' A' ' 119' ' ' VAL . 7.2 m-85 -123.65 161.34 25.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 1.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.566 ' O ' HG23 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -120.59 162.8 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 1.0 109.312 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.825 ' HB2' ' HB3' ' A' ' 88' ' ' LEU . . . -69.68 131.76 45.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 1.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.662 HD22 ' CE2' ' A' ' 70' ' ' TYR . 0.4 OUTLIER -83.35 -76.41 0.28 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 1.0 109.277 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.662 ' CE2' HD22 ' A' ' 69' ' ' LEU . 60.5 m-85 -111.01 172.89 6.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 1.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.3 p30 -85.32 177.39 7.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 1.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.584 ' CZ ' ' CG2' ' A' ' 79' ' ' THR . 26.6 t80 -105.97 159.13 16.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 1.0 111.034 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.778 HG13 ' N ' ' A' ' 74' ' ' ALA . 1.5 p -105.25 -151.91 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 1.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.778 ' N ' HG13 ' A' ' 73' ' ' VAL . . . -44.82 164.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 1.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 79.7 p -101.39 179.93 4.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 1.0 109.996 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 151.25 129.37 1.56 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.497 1.123 . . . . 1.0 110.97 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.4 t0 66.78 -165.28 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.767 . . . . 1.0 109.25 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -71.44 72.36 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 1.0 109.324 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.584 ' CG2' ' CZ ' ' A' ' 72' ' ' PHE . 0.4 OUTLIER -126.63 167.23 15.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 1.0 110.37 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.993 HD22 ' CD1' ' A' ' 82' ' ' ILE . 1.6 tt -136.33 119.3 16.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 1.0 109.337 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.532 ' C ' HD13 ' A' ' 82' ' ' ILE . 36.8 m -87.07 115.26 24.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 1.0 110.048 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.993 ' CD1' HD22 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -113.4 169.83 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 1.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.5 m -114.03 156.48 24.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 1.0 110.39 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.493 ' O ' ' C ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -57.96 178.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 1.0 109.287 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.493 ' C ' ' O ' ' A' ' 84' ' ' LYS . . . 30.18 51.31 0.18 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.111 . . . . 1.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -120.84 161.76 20.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 0.759 . . . . 1.0 110.29 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.61 86.81 7.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 1.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.825 ' HB3' ' HB2' ' A' ' 68' ' ' ALA . 1.9 tt -131.58 116.6 17.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 1.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.659 ' N ' HD23 ' A' ' 88' ' ' LEU . 50.3 mtt-85 -131.71 152.57 50.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 1.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.535 ' CG2' HD13 ' A' ' 116' ' ' ILE . 41.7 t -75.02 146.28 9.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 1.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.1 mt -114.08 -46.51 3.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 1.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -148.36 158.05 27.54 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.484 1.115 . . . . 1.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -111.66 168.5 9.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 0.8 . . . . 1.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.595 ' O ' ' CB ' ' A' ' 95' ' ' HIS . 0.8 OUTLIER -97.98 -47.16 5.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 1.0 109.292 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.6 ' CG ' ' N ' ' A' ' 96' ' ' ASN . 14.3 t60 154.13 170.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 1.0 109.604 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.6 ' N ' ' CG ' ' A' ' 95' ' ' HIS . 46.7 t30 41.12 28.92 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 1.0 109.32 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.439 ' N ' ' C ' ' A' ' 95' ' ' HIS . . . 36.11 59.64 0.93 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.521 1.138 . . . . 1.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -102.66 -63.16 1.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 0.787 . . . . 1.0 110.334 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.525 ' CE2' ' HB3' ' A' ' 112' ' ' PRO . 21.3 m95 -133.1 149.72 52.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 1.0 107.977 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.538 ' O ' HG12 ' A' ' 111' ' ' VAL . 4.0 m -135.93 139.34 43.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 1.0 108.286 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -81.87 135.03 35.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 1.0 110.338 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -133.73 162.13 32.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 1.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.452 ' CB ' ' HG3' ' A' ' 108' ' ' GLN . 20.8 tt0 -116.86 140.35 49.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 1.0 110.298 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.818 HG21 HD12 ' A' ' 82' ' ' ILE . 31.0 p -114.31 152.58 31.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 1.0 110.427 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -18.02 36.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 1.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -88.05 -39.42 14.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 1.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -173.14 -137.17 2.32 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.528 1.142 . . . . 1.0 111.056 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.796 ' C ' HD12 ' A' ' 80' ' ' LEU . 1.0 OUTLIER -151.69 148.34 27.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 0.763 . . . . 1.0 110.286 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -169.72 -167.47 30.29 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.524 1.14 . . . . 1.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -93.81 157.58 16.07 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.972 -1.122 . . . . 1.0 107.972 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.797 HG13 HD11 ' A' ' 116' ' ' ILE . 7.2 p -154.88 131.71 6.0 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 1.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.525 ' HB3' ' CE2' ' A' ' 99' ' ' TRP . 18.5 Cg_endo -74.93 144.6 30.7 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.455 1.766 . . . . 1.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.3 t -73.17 -25.99 61.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 1.0 109.998 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -69.36 -8.64 48.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 1.0 109.266 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.403 ' CD2' ' HG2' ' A' ' 112' ' ' PRO . 2.1 m-85 -114.55 2.82 14.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 1.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.797 HD11 HG13 ' A' ' 111' ' ' VAL . 9.5 mt -118.71 155.99 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 1.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.518 ' CG2' ' HG ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -125.16 155.21 71.42 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 1.0 110.405 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 171.13 18.92 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.467 1.772 . . . . 1.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 65' ' ' LEU . 45.2 t -98.67 4.2 10.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 1.0 109.293 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.0 t . . . . . 0 C--O 1.25 1.121 0 CA-C-O 116.996 -1.478 . . . . 1.0 110.018 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.444 ' C ' HD13 ' A' ' 65' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.329 -0.619 . . . . 1.0 109.329 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.48 ' CD1' ' N ' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -117.81 147.6 42.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 1.0 110.981 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -122.38 148.28 26.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 1.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 1.063 ' HB2' HD22 ' A' ' 88' ' ' LEU . . . -78.12 97.36 5.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 1.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.722 HD13 HG23 ' A' ' 117' ' ' THR . 3.0 mp -84.73 -26.32 27.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 1.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -93.84 153.79 18.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 1.0 111.007 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.72 162.17 13.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 1.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.557 ' HB2' HD12 ' A' ' 82' ' ' ILE . 1.4 t80 -121.63 151.81 40.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 1.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 6.0 p -121.19 127.98 75.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 1.0 109.349 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.25 100.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 1.0 109.264 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 39.2 t -150.1 97.77 2.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 1.0 109.987 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 99.29 163.22 29.53 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.486 1.116 . . . . 1.0 111.028 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.452 ' O ' ' CB ' ' A' ' 78' ' ' ASN . 0.9 OUTLIER -89.18 157.13 18.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 0.778 . . . . 1.0 109.317 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.452 ' CB ' ' O ' ' A' ' 77' ' ' ASP . 3.1 m120 79.12 -0.47 2.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 1.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.531 HG23 ' N ' ' A' ' 80' ' ' LEU . 0.3 OUTLIER -86.35 172.48 10.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 1.0 110.444 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.588 HD22 HG13 ' A' ' 82' ' ' ILE . 1.4 tt -133.43 117.64 17.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 1.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.4 m -98.43 109.98 22.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 1.0 110.022 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.588 HG13 HD22 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -136.57 179.53 3.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 1.0 109.274 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.4 m -112.99 151.82 30.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 1.0 110.367 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.46 ' O ' ' C ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -61.73 179.67 0.24 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 1.0 109.285 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 84' ' ' LYS . . . 33.3 41.16 0.13 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 1.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -118.51 158.31 25.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 0.737 . . . . 1.0 110.323 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.81 90.07 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 1.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 1.063 HD22 ' HB2' ' A' ' 68' ' ' ALA . 1.3 tt -148.71 126.29 11.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 1.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.586 ' N ' HD23 ' A' ' 88' ' ' LEU . 67.8 mtm180 -135.83 155.41 50.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 1.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.473 ' CG1' ' HB3' ' A' ' 100' ' ' CYS . 2.7 t -68.44 140.9 18.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 1.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.526 HD13 ' NE2' ' A' ' 103' ' ' GLN . 1.5 mt -109.91 -40.96 4.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 1.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.36 175.29 25.0 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.515 1.134 . . . . 1.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.631 ' N ' ' CD1' ' A' ' 93' ' ' TYR . 0.2 OUTLIER -135.18 169.19 17.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 0.771 . . . . 1.0 110.996 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.512 ' OD1' ' O ' ' A' ' 99' ' ' TRP . 0.8 OUTLIER -91.73 62.27 4.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 1.0 109.306 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.427 ' C ' ' O ' ' A' ' 94' ' ' ASN . 10.9 p80 37.51 41.4 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 1.0 109.573 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 177.65 169.15 0.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 1.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -93.59 40.42 2.79 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 1.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.6 -58.74 2.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 0.764 . . . . 1.0 110.317 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.569 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 13.9 m95 -133.67 163.21 29.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 1.0 107.986 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.473 ' HB3' ' CG1' ' A' ' 90' ' ' VAL . 11.8 m -136.14 130.02 32.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 1.0 108.29 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -74.68 123.94 25.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 1.0 110.316 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.406 ' C ' ' OE1' ' A' ' 103' ' ' GLN . . . -112.67 157.9 20.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 1.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.526 ' NE2' HD13 ' A' ' 91' ' ' LEU . 9.9 mp0 -135.08 138.32 43.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 1.0 110.298 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.28 162.93 12.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 1.0 110.416 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -43.89 -62.56 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 1.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 16.0 m-20 -121.03 50.96 1.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 1.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -174.52 162.44 32.62 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.47 1.106 . . . . 1.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.43 ' CG ' ' HG3' ' A' ' 103' ' ' GLN . 0.3 OUTLIER -150.45 151.53 32.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 0.759 . . . . 1.0 110.231 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -179.21 173.59 45.64 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.494 1.121 . . . . 1.0 110.973 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.472 ' C ' ' CG1' ' A' ' 111' ' ' VAL . 5.6 m95 -95.53 152.38 18.48 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.045 -1.094 . . . . 1.0 108.045 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.477 HG23 ' CD1' ' A' ' 116' ' ' ILE . 0.8 OUTLIER -152.46 145.66 17.63 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 1.0 109.254 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.569 ' HD3' ' CZ3' ' A' ' 99' ' ' TRP . 18.4 Cg_endo -74.97 144.92 30.94 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 1.0 111.033 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.416 ' O ' ' O ' ' A' ' 116' ' ' ILE . 0.0 OUTLIER -59.33 -15.59 17.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 1.0 109.993 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.05 -30.56 66.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 1.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.566 ' CD1' ' HG2' ' A' ' 112' ' ' PRO . 3.0 m-85 -76.51 -19.03 58.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 1.0 111.038 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.477 ' CD1' HG23 ' A' ' 111' ' ' VAL . 0.0 OUTLIER -116.77 118.6 59.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 1.0 109.308 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.722 HG23 HD13 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -114.78 150.19 43.62 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 1.0 110.438 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 117' ' ' THR . 18.3 Cg_endo -74.96 165.49 31.23 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.539 1.81 . . . . 1.0 111.027 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.502 ' O ' HG12 ' A' ' 119' ' ' VAL . 59.6 t -91.73 4.76 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 1.0 109.267 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 9.3 m . . . . . 0 C--O 1.25 1.104 0 CA-C-O 116.998 -1.477 . . . . 1.0 109.984 179.961 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.713 ' O ' HG23 ' A' ' 119' ' ' VAL . 3.7 mm? . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.328 -0.619 . . . . 1.0 109.328 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.504 ' N ' ' CD1' ' A' ' 66' ' ' PHE . 3.5 m-85 -117.87 167.21 11.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 1.0 110.979 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.624 ' O ' HG23 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -127.75 147.62 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 1.0 109.309 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.586 ' HB2' HD22 ' A' ' 88' ' ' LEU . . . -70.34 112.28 6.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 1.0 109.333 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.478 ' HB2' ' CG2' ' A' ' 117' ' ' THR . 12.4 tp -90.74 -80.8 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 1.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.437 ' N ' ' HG ' ' A' ' 69' ' ' LEU . 12.9 m-85 -72.84 162.21 29.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 1.0 111.045 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.417 ' O ' ' CE1' ' A' ' 115' ' ' TYR . 2.8 p-10 -90.77 172.21 8.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 1.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.555 ' CE1' HG23 ' A' ' 79' ' ' THR . 14.7 t80 -129.1 157.36 41.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 1.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.509 ' N ' ' CD1' ' A' ' 72' ' ' PHE . 67.5 t -129.74 140.4 49.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 1.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.48 142.41 57.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 1.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.6 p -149.73 -67.41 0.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.113 . . . . 1.0 110.008 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -96.67 -179.98 34.63 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.479 1.112 . . . . 1.0 110.973 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -66.61 -61.38 2.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 0.759 . . . . 1.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -81.4 89.56 6.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 1.0 109.263 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.555 HG23 ' CE1' ' A' ' 72' ' ' PHE . 0.5 OUTLIER -150.03 167.72 25.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 1.0 110.431 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.961 HD21 HG21 ' A' ' 104' ' ' THR . 1.2 tt -135.4 117.31 15.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 1.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.1 m -103.57 110.32 22.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.171 . . . . 1.0 110.002 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.639 ' H ' HD12 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -127.57 -173.54 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 1.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.1 m -107.64 166.38 10.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 1.0 110.332 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -75.98 165.08 25.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.421 1.076 . . . . 1.0 109.274 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 37.65 30.2 0.06 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.486 1.116 . . . . 1.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.498 ' OE2' ' CE ' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -91.59 165.6 13.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 0.776 . . . . 1.0 110.288 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.26 85.92 3.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 1.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.791 HD23 ' C ' ' A' ' 88' ' ' LEU . 1.8 tt -150.37 125.74 10.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 1.0 109.369 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.475 ' N ' HD23 ' A' ' 88' ' ' LEU . 31.4 mtt180 -135.2 144.43 46.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 1.0 110.26 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.463 ' CG1' ' HB3' ' A' ' 100' ' ' CYS . 12.1 t -71.62 127.96 34.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 1.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.456 ' HA ' HD23 ' A' ' 91' ' ' LEU . 3.1 mt -108.23 -30.59 8.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 1.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -131.25 166.37 22.83 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.502 1.126 . . . . 1.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -127.93 178.98 5.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 0.76 . . . . 1.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.516 ' OD1' ' CZ3' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -86.17 -179.5 6.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.162 . . . . 1.0 109.352 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.411 ' H ' HD21 ' A' ' 94' ' ' ASN . 15.3 p-80 -88.15 -42.7 12.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 1.0 109.582 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 57.1 m-20 -94.85 16.31 16.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.579 1.175 . . . . 1.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 50.25 66.32 2.43 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.5 1.125 . . . . 1.0 110.984 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -120.99 -49.01 2.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 1.0 110.331 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.548 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 7.8 m95 -127.87 175.08 8.62 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.986 -1.116 . . . . 1.0 107.986 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.463 ' HB3' ' CG1' ' A' ' 90' ' ' VAL . 18.2 m -136.18 139.42 42.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 1.0 108.305 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -88.56 130.67 35.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 1.0 110.264 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.711 ' HB3' HG11 ' A' ' 111' ' ' VAL . . . -135.16 164.11 28.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 1.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.462 ' CG ' ' HG3' ' A' ' 108' ' ' GLN . 0.0 OUTLIER -120.8 173.8 6.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 1.0 110.283 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.961 HG21 HD21 ' A' ' 80' ' ' LEU . 1.5 p -135.11 155.0 51.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 1.0 110.414 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.498 ' CE ' ' OE2' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -40.17 -35.64 0.42 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 1.0 109.342 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -149.35 68.18 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 1.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' A' ' 104' ' ' THR . . . 157.73 161.02 10.58 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.504 1.127 . . . . 1.0 110.962 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.462 ' HG3' ' CG ' ' A' ' 103' ' ' GLN . 31.6 tt0 -152.25 147.36 26.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 0.748 . . . . 1.0 110.263 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.78 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -177.38 -167.08 35.16 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.489 1.118 . . . . 1.0 111.004 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.516 ' CZ3' ' OD1' ' A' ' 94' ' ' ASN . 37.1 m95 -87.14 150.56 23.89 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.017 -1.105 . . . . 1.0 108.017 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.711 HG11 ' HB3' ' A' ' 102' ' ' ALA . 1.0 OUTLIER -147.59 129.49 7.48 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 1.0 109.289 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.548 ' HD3' ' CZ3' ' A' ' 99' ' ' TRP . 18.3 Cg_endo -74.98 142.04 27.45 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 1.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 116' ' ' ILE . 1.9 t -75.57 -24.0 56.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 1.0 110.037 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -69.6 -8.78 50.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 1.0 109.277 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.417 ' CE1' ' O ' ' A' ' 71' ' ' ASP . 1.0 OUTLIER -108.17 -17.58 13.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 1.0 111.012 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.624 HG23 ' O ' ' A' ' 67' ' ' VAL . 11.8 mt -114.69 147.48 18.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 1.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.478 ' CG2' ' HB2' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -124.25 159.26 57.93 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 1.0 110.41 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.448 ' HA ' ' HA ' ' A' ' 66' ' ' PHE . 18.3 Cg_endo -74.99 173.18 14.95 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.492 1.785 . . . . 1.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 65' ' ' LEU . 97.7 t -77.8 -111.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 1.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.647 ' N ' HG12 ' A' ' 119' ' ' VAL . 83.6 p . . . . . 0 C--O 1.25 1.094 0 CA-C-O 116.966 -1.493 . . . . 1.0 109.958 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.409 ' N ' HD22 ' A' ' 65' ' ' LEU . 3.5 mm? . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.33 -0.618 . . . . 1.0 109.33 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.494 ' N ' ' CD1' ' A' ' 66' ' ' PHE . 3.9 m-85 -116.9 162.19 18.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 1.0 110.992 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -128.13 142.24 44.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 1.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.686 ' HB2' ' HB3' ' A' ' 88' ' ' LEU . . . -70.44 142.12 52.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 1.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.636 HD12 ' CG2' ' A' ' 117' ' ' THR . 0.5 OUTLIER -98.51 -59.0 1.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 1.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -109.72 167.92 9.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 1.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.468 ' N ' ' OD1' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -86.55 178.12 7.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 1.0 109.286 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.537 ' CG ' ' O ' ' A' ' 80' ' ' LEU . 6.3 t80 -119.12 157.22 28.32 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.46 1.1 . . . . 1.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.7 t -118.31 143.76 28.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 1.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.75 103.99 1.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 1.0 109.344 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.6 t -150.06 124.59 9.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 1.0 109.987 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.87 -157.3 25.14 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.462 1.101 . . . . 1.0 111.019 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.69 -68.71 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.758 . . . . 1.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -76.99 83.25 3.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 1.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.496 HG23 ' CE1' ' A' ' 72' ' ' PHE . 0.3 OUTLIER -136.91 169.89 17.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 1.0 110.378 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.783 HD22 HD12 ' A' ' 82' ' ' ILE . 1.2 tt -135.01 117.8 16.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 1.0 109.332 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.8 m -95.03 107.43 19.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 1.0 109.996 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.783 HD12 HD22 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -120.74 169.91 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 1.0 109.334 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.4 m -114.59 161.51 17.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 1.0 110.371 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.555 ' O ' ' C ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -60.57 179.56 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 1.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.555 ' C ' ' O ' ' A' ' 84' ' ' LYS . . . 22.47 58.54 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.455 1.097 . . . . 1.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -125.65 152.59 45.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 1.0 110.282 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.402 ' HG3' ' NH2' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -69.32 81.48 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 1.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.686 ' HB3' ' HB2' ' A' ' 68' ' ' ALA . 1.8 tt -122.03 117.64 26.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 1.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.402 ' NH2' ' HG3' ' A' ' 87' ' ' LYS . 4.4 mtt85 -133.77 140.08 46.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 1.0 110.323 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.899 HG11 ' CE2' ' A' ' 93' ' ' TYR . 54.0 t -69.28 123.72 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 1.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.6 mt -105.06 -29.81 10.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 1.0 109.337 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -129.86 157.23 21.79 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.484 1.115 . . . . 1.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.899 ' CE2' HG11 ' A' ' 90' ' ' VAL . 1.1 m-85 -142.03 147.41 36.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.766 . . . . 1.0 111.021 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.574 ' ND2' ' O ' ' A' ' 99' ' ' TRP . 7.4 p30 -71.16 -151.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 1.0 109.273 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.465 ' N ' ' OD1' ' A' ' 94' ' ' ASN . 18.6 t-160 -121.71 -47.52 2.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 1.0 109.629 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.581 ' O ' ' C ' ' A' ' 97' ' ' GLY . 37.6 m-80 -84.72 45.2 1.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 1.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.581 ' C ' ' O ' ' A' ' 96' ' ' ASN . . . 19.55 56.64 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.501 1.125 . . . . 1.0 111.047 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 96' ' ' ASN . 0.6 OUTLIER -105.84 -59.61 1.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 0.782 . . . . 1.0 110.297 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.574 ' O ' ' ND2' ' A' ' 94' ' ' ASN . 13.5 m95 -136.79 154.03 50.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 1.0 108.007 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.566 ' HB3' ' CD1' ' A' ' 93' ' ' TYR . 0.9 OUTLIER -122.13 140.24 52.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 1.0 108.247 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -83.66 136.97 34.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 1.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -132.47 160.61 35.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 1.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -123.34 150.31 43.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 1.0 110.286 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.611 ' OG1' HD21 ' A' ' 80' ' ' LEU . 3.1 m -104.65 160.65 14.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 1.0 110.379 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 104' ' ' THR . 5.2 tptp -39.34 -53.61 1.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 1.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -133.97 55.03 1.92 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 1.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 178.87 -176.27 47.87 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.521 1.138 . . . . 1.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -150.39 179.32 8.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 0.781 . . . . 1.0 110.344 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 155.48 -179.99 31.03 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.541 1.151 . . . . 1.0 110.986 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -95.49 159.59 14.92 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.004 -1.11 . . . . 1.0 108.004 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.411 ' O ' ' O ' ' A' ' 100' ' ' CYS . 4.9 p -158.47 129.94 3.91 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 1.0 109.328 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.543 ' HG3' ' CH2' ' A' ' 99' ' ' TRP . 18.4 Cg_endo -74.93 144.61 30.71 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 1.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 116' ' ' ILE . 0.3 OUTLIER -73.86 -10.8 60.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 1.0 110.025 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -71.12 -28.09 64.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 1.0 109.257 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -102.93 2.24 34.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 1.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.467 HD13 ' HA ' ' A' ' 68' ' ' ALA . 7.7 mm -126.7 147.72 31.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 1.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.636 ' CG2' HD12 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -130.59 156.62 79.46 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 1.0 110.391 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.405 ' HA ' ' CD2' ' A' ' 66' ' ' PHE . 18.4 Cg_endo -74.95 -179.37 4.91 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.502 1.791 . . . . 1.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.757 HG22 ' N ' ' A' ' 120' ' ' SER . 1.8 p -69.05 -103.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 1.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.757 ' N ' HG22 ' A' ' 119' ' ' VAL . 11.9 p . . . . . 0 C--O 1.25 1.097 0 CA-C-O 117.03 -1.462 . . . . 1.0 110.024 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.427 ' C ' HD13 ' A' ' 65' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.321 -0.622 . . . . 1.0 109.321 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.578 ' CD2' ' HB ' ' A' ' 90' ' ' VAL . 0.4 OUTLIER -115.6 153.72 30.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 1.0 111.005 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.506 ' CG1' HG22 ' A' ' 119' ' ' VAL . 0.8 OUTLIER -104.62 153.29 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 1.0 109.356 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.772 ' HB2' ' HB3' ' A' ' 88' ' ' LEU . . . -68.89 125.39 26.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 1.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.557 HD12 ' HB ' ' A' ' 117' ' ' THR . 0.2 OUTLIER -77.8 -77.66 0.15 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 1.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.402 ' CE1' HD22 ' A' ' 69' ' ' LEU . 4.8 m-85 -105.1 178.27 4.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 1.0 110.997 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.536 ' N ' ' OD1' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -77.93 176.22 9.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 1.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.443 ' HE2' HG23 ' A' ' 79' ' ' THR . 27.9 t80 -124.18 167.04 14.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 1.0 111.029 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 13.1 p -125.38 154.93 34.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 1.0 109.348 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.68 145.63 50.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 1.0 109.316 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.557 ' N ' HG21 ' A' ' 79' ' ' THR . 0.2 OUTLIER -150.24 162.96 39.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 1.0 109.999 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.408 ' O ' ' CG ' ' A' ' 77' ' ' ASP . . . -107.61 56.25 0.49 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.499 1.125 . . . . 1.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 78' ' ' ASN . 4.5 m-20 -166.86 85.47 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 0.75 . . . . 1.0 109.335 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 77' ' ' ASP . 7.6 m120 38.99 68.29 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 1.0 109.334 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.557 HG21 ' N ' ' A' ' 75' ' ' SER . 0.4 OUTLIER -134.0 160.12 38.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 1.0 110.4 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.943 HD13 ' O ' ' A' ' 108' ' ' GLN . 2.4 tt -136.36 121.2 18.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 1.0 109.338 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.1 m -67.76 110.81 3.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 1.0 110.012 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.499 ' CD1' HD12 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -119.81 152.62 22.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 1.0 109.342 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.3 m -111.12 160.61 16.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.09 . . . . 1.0 110.405 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.47 ' O ' ' C ' ' A' ' 85' ' ' GLY . 4.4 pttt -62.25 -176.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 1.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 84' ' ' LYS . . . 32.18 38.47 0.05 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.461 1.101 . . . . 1.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 84' ' ' LYS . 5.1 tp10 -116.27 155.99 27.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 0.753 . . . . 1.0 110.33 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.7 mttp -72.8 89.66 1.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 1.0 109.328 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.772 ' HB3' ' HB2' ' A' ' 68' ' ' ALA . 2.9 tt -129.44 113.14 14.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 1.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.419 ' N ' HD23 ' A' ' 88' ' ' LEU . 4.2 mtp85 -136.0 139.23 43.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 1.0 110.285 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.578 ' HB ' ' CD2' ' A' ' 66' ' ' PHE . 92.9 t -71.33 111.05 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 1.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.691 HD13 ' CD ' ' A' ' 103' ' ' GLN . 0.8 OUTLIER -113.7 -7.84 13.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 1.0 109.29 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -153.48 168.29 32.09 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.469 1.106 . . . . 1.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -131.5 176.99 7.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 0.755 . . . . 1.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -78.08 165.6 23.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 1.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -91.21 41.73 1.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 1.0 109.616 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.452 ' ND2' ' HB3' ' A' ' 98' ' ' GLU . 1.7 p-10 -168.8 -53.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 1.0 109.334 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.42 ' H ' ' ND2' ' A' ' 96' ' ' ASN . . . 124.99 55.95 0.17 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.519 1.137 . . . . 1.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.504 ' CG ' ' N ' ' A' ' 99' ' ' TRP . 12.6 pt-20 -120.04 -47.83 2.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.756 . . . . 1.0 110.282 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.564 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 8.0 m95 -133.02 174.54 10.25 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.996 -1.113 . . . . 1.0 107.996 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 35.6 m -135.5 132.71 37.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 1.0 108.295 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -85.01 151.18 24.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.079 . . . . 1.0 110.325 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -135.22 171.48 14.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 1.0 109.334 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.691 ' CD ' HD13 ' A' ' 91' ' ' LEU . 51.2 mt-30 -105.08 135.55 46.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 1.0 110.27 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.52 ' O ' ' C ' ' A' ' 105' ' ' LYS . 1.2 p -104.2 176.69 5.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 1.0 110.382 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.52 ' C ' ' O ' ' A' ' 104' ' ' THR . 0.0 OUTLIER -30.81 -54.22 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 1.0 109.277 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 21.4 m-20 -150.16 58.71 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 1.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 178.97 -136.54 2.9 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.514 1.133 . . . . 1.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.943 ' O ' HD13 ' A' ' 80' ' ' LEU . 4.5 mt-30 -133.26 -168.85 2.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 0.787 . . . . 1.0 110.272 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.438 ' HA2' ' HB3' ' A' ' 80' ' ' LEU . . . -176.56 128.79 1.39 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.468 1.105 . . . . 1.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 37.5 m95 -92.81 129.43 38.74 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.959 -1.126 . . . . 1.0 107.959 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.58 HG23 ' HD2' ' A' ' 112' ' ' PRO . 6.8 p -160.78 141.71 8.73 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 1.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.58 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.4 Cg_endo -74.94 148.31 35.41 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.455 1.766 . . . . 1.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.15 -12.25 49.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 1.0 110.025 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.35 -39.99 77.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 1.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -95.7 13.69 25.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 1.0 111.024 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.514 HD13 ' HA ' ' A' ' 68' ' ' ALA . 10.8 mm -126.71 154.28 36.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 1.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.557 ' HB ' HD12 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -133.54 138.95 32.36 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 1.0 110.425 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.455 ' HA ' ' CB ' ' A' ' 66' ' ' PHE . 18.4 Cg_endo -75.05 175.23 11.52 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.519 1.8 . . . . 1.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.552 ' O ' HG12 ' A' ' 119' ' ' VAL . 83.4 t -113.92 4.55 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 1.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 10.5 t . . . . . 0 C--O 1.25 1.104 0 CA-C-O 117.032 -1.461 . . . . 1.0 109.998 -179.98 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.729 ' O ' HG23 ' A' ' 119' ' ' VAL . 4.3 mm? . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.343 -0.614 . . . . 1.0 109.343 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.559 ' N ' ' CD1' ' A' ' 66' ' ' PHE . 0.8 OUTLIER -108.19 158.66 17.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 1.0 111.006 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.613 ' O ' HG23 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -126.25 156.44 36.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 1.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.989 ' HB2' ' CD2' ' A' ' 88' ' ' LEU . . . -79.3 88.67 4.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 1.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 1.06 HD13 HG23 ' A' ' 117' ' ' THR . 0.3 OUTLIER -69.89 -44.98 68.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 1.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -103.7 165.5 11.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 1.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.53 156.24 20.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 1.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.755 ' CE1' ' HB2' ' A' ' 74' ' ' ALA . 12.1 t80 -138.15 117.92 13.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 1.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.415 ' O ' HG13 ' A' ' 73' ' ' VAL . 9.7 p -135.12 58.59 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 1.0 109.244 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.755 ' HB2' ' CE1' ' A' ' 72' ' ' PHE . . . -75.17 163.98 26.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 1.0 109.256 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.12 93.31 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 1.0 109.999 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -169.77 -131.81 1.37 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.505 1.128 . . . . 1.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -64.14 -167.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 0.755 . . . . 1.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -43.06 101.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 1.0 109.317 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.574 HG21 ' HB3' ' A' ' 74' ' ' ALA . 0.6 OUTLIER -147.49 158.1 43.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 1.0 110.423 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.924 HD22 ' CD1' ' A' ' 82' ' ' ILE . 1.7 tt -135.85 117.45 14.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 1.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 48.9 m -81.22 112.91 18.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 1.0 110.041 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.924 ' CD1' HD22 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -107.72 168.55 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 1.0 109.272 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.2 m -115.75 156.73 25.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 1.0 110.417 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 86' ' ' GLU . 1.0 OUTLIER -65.36 -177.81 0.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 1.0 109.355 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.417 ' N ' ' HE2' ' A' ' 84' ' ' LYS . . . 37.58 29.83 0.05 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.502 1.126 . . . . 1.0 110.957 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 84' ' ' LYS . 0.7 OUTLIER -109.65 159.79 16.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 0.779 . . . . 1.0 110.296 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.486 ' H ' ' CD ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -90.11 78.19 6.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 1.0 109.318 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.989 ' CD2' ' HB2' ' A' ' 68' ' ' ALA . 0.1 OUTLIER -127.13 126.13 42.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 1.0 109.29 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.462 ' CB ' ' O ' ' A' ' 66' ' ' PHE . 7.2 mtt180 -132.02 153.54 50.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 1.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.469 ' CG2' ' HB2' ' A' ' 100' ' ' CYS . 5.0 t -69.52 156.66 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 1.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.485 HD12 ' HG2' ' A' ' 103' ' ' GLN . 3.7 mt -118.0 -53.06 2.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 1.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -139.31 -173.91 13.31 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.551 1.157 . . . . 1.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -137.6 152.48 49.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 1.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.443 ' OD1' ' O ' ' A' ' 99' ' ' TRP . 0.4 OUTLIER -75.67 57.14 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 1.0 109.318 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.496 ' CG ' ' O ' ' A' ' 95' ' ' HIS . 77.0 t60 37.97 44.41 0.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 1.0 109.58 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 176.74 166.83 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 1.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -91.74 61.33 2.74 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.437 1.086 . . . . 1.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.32 -63.04 1.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 1.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.531 ' CZ2' ' HB3' ' A' ' 112' ' ' PRO . 13.2 m95 -133.32 159.36 40.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 1.0 108.025 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.469 ' HB2' ' CG2' ' A' ' 90' ' ' VAL . 2.2 m -136.92 127.09 26.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 1.0 108.326 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.474 ' HG3' ' CD1' ' A' ' 110' ' ' TRP . 11.5 tt0 -70.44 131.52 44.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 1.0 110.31 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.551 ' HB3' ' CG1' ' A' ' 111' ' ' VAL . . . -135.2 159.3 41.96 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.506 1.129 . . . . 1.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.602 ' O ' HD12 ' A' ' 88' ' ' LEU . 1.8 pt20 -107.68 177.01 4.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 1.0 110.319 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.425 ' OG1' HD12 ' A' ' 82' ' ' ILE . 1.8 m -135.0 157.36 47.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 1.0 110.401 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 104' ' ' THR . 1.9 pttp -39.84 -56.07 1.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 1.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.95 55.77 1.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 1.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 104' ' ' THR . . . 176.17 168.86 36.95 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.465 1.103 . . . . 1.0 110.982 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.888 ' C ' HD12 ' A' ' 80' ' ' LEU . 2.7 mt-30 -151.14 147.81 27.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 0.744 . . . . 1.0 110.337 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 178.41 -164.19 32.66 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.121 . . . . 1.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.474 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 7.5 m95 -99.47 145.79 27.06 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.005 -1.109 . . . . 1.0 108.005 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.594 ' CG2' ' CD1' ' A' ' 116' ' ' ILE . 1.9 m -137.58 136.16 19.97 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 1.0 109.246 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.575 ' HD3' ' CZ ' ' A' ' 72' ' ' PHE . 18.2 Cg_endo -74.98 140.75 25.89 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.511 1.795 . . . . 1.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.461 ' O ' ' O ' ' A' ' 116' ' ' ILE . 0.1 OUTLIER -76.09 -12.91 60.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 1.0 109.98 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.542 ' OD1' ' CD1' ' A' ' 115' ' ' TYR . 30.3 p30 -73.04 -15.28 61.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 1.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.542 ' CD1' ' OD1' ' A' ' 114' ' ' ASN . 3.1 m-30 -111.19 -6.04 14.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 1.0 111.054 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.613 HG23 ' O ' ' A' ' 67' ' ' VAL . 9.2 mt -129.69 144.9 36.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 1.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' THR . . . . . 1.06 HG23 HD13 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -131.45 158.86 74.12 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 1.0 110.458 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.539 ' HB3' ' CD1' ' A' ' 66' ' ' PHE . 18.3 Cg_endo -75.01 170.31 20.69 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.504 1.792 . . . . 1.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 65' ' ' LEU . 97.5 t -86.21 4.58 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 1.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 34.3 t . . . . . 0 C--O 1.249 1.064 0 CA-C-O 116.972 -1.49 . . . . 1.0 110.03 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.588 ' O ' HG23 ' A' ' 119' ' ' VAL . 3.6 mm? . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.325 -0.62 . . . . 1.0 109.325 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.567 ' CD1' ' HB ' ' A' ' 90' ' ' VAL . 0.6 OUTLIER -122.35 157.67 31.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 1.0 111.014 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.409 ' N ' ' O ' ' A' ' 117' ' ' THR . 0.0 OUTLIER -116.55 142.12 31.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 1.0 109.298 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 1.006 ' HB2' HD22 ' A' ' 88' ' ' LEU . . . -70.09 137.97 51.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 1.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.587 HD12 ' CG2' ' A' ' 117' ' ' THR . 0.5 OUTLIER -95.79 -65.3 0.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 1.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -107.16 176.86 5.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 1.0 111.019 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -99.93 172.47 7.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 1.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.634 ' CE1' HG21 ' A' ' 79' ' ' THR . 17.5 t80 -111.67 159.47 18.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 1.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.546 ' N ' ' CD1' ' A' ' 72' ' ' PHE . 11.7 p -115.75 114.85 47.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 1.0 109.307 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -45.05 124.6 4.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 1.0 109.259 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.0 p -150.0 -65.79 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 1.0 109.992 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -82.21 -176.19 51.1 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.516 1.135 . . . . 1.0 111.033 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -100.54 -56.42 2.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 1.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -62.93 -13.78 38.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 1.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.634 HG21 ' CE1' ' A' ' 72' ' ' PHE . 0.3 OUTLIER -69.87 171.86 8.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 1.0 110.383 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.515 ' N ' HG23 ' A' ' 79' ' ' THR . 1.2 tt -135.54 117.84 15.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 1.0 109.277 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.4 m -89.52 110.34 21.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 1.0 109.976 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.76 HG22 ' OE2' ' A' ' 86' ' ' GLU . 0.1 OUTLIER -115.9 176.58 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 1.0 109.323 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.5 m -119.75 153.25 35.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 1.0 110.37 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -62.71 -178.17 0.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 1.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 84' ' ' LYS . . . 36.14 32.73 0.05 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.473 1.108 . . . . 1.0 111.037 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.76 ' OE2' HG22 ' A' ' 82' ' ' ILE . 15.9 tt0 -105.59 166.78 10.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 0.798 . . . . 1.0 110.342 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.4 pttp -90.79 68.31 6.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 1.0 109.265 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 1.006 HD22 ' HB2' ' A' ' 68' ' ' ALA . 1.0 OUTLIER -111.42 123.63 50.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 1.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 -135.09 144.86 47.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 1.0 110.289 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.586 HG21 ' SG ' ' A' ' 100' ' ' CYS . 2.9 t -75.13 116.23 17.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 1.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.4 mt -115.32 7.98 15.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 1.0 109.332 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -146.58 151.1 23.41 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.483 1.114 . . . . 1.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -142.99 144.51 32.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 0.748 . . . . 1.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.544 ' OD1' ' CG ' ' A' ' 95' ' ' HIS . 0.3 OUTLIER -85.15 175.01 9.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.422 1.076 . . . . 1.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.544 ' CG ' ' OD1' ' A' ' 94' ' ' ASN . 4.6 p-80 -38.74 -73.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 1.0 109.6 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.45 ' H ' ' CD2' ' A' ' 95' ' ' HIS . 0.7 OUTLIER -80.8 -173.26 4.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 1.0 109.289 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -105.42 68.14 0.25 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.47 1.107 . . . . 1.0 111.03 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.34 -52.13 2.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 0.774 . . . . 1.0 110.316 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.48 ' CH2' ' HG3' ' A' ' 112' ' ' PRO . 22.7 m95 -125.78 153.51 43.91 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.985 -1.117 . . . . 1.0 107.985 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.586 ' SG ' HG21 ' A' ' 90' ' ' VAL . 0.8 OUTLIER -135.73 139.4 43.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 1.0 108.248 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -77.68 132.06 38.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 1.0 110.312 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.433 ' HB2' HG11 ' A' ' 111' ' ' VAL . . . -127.9 159.61 34.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 1.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -121.95 157.15 31.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 1.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.461 HG22 ' H ' ' A' ' 106' ' ' ASN . 77.0 m -135.49 145.49 47.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 1.0 110.427 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.04 -16.54 19.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 1.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.461 ' H ' HG22 ' A' ' 104' ' ' THR . 3.0 t-20 -91.8 -39.37 11.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 1.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 104' ' ' THR . . . -169.9 -144.89 4.46 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.552 1.158 . . . . 1.0 110.983 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.413 ' C ' HD12 ' A' ' 80' ' ' LEU . 1.9 tt0 -150.34 163.76 37.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 0.743 . . . . 1.0 110.293 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.454 ' N ' HD12 ' A' ' 80' ' ' LEU . . . 172.91 -169.23 42.38 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.534 1.146 . . . . 1.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 30.9 m95 -93.21 150.49 20.46 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.993 -1.114 . . . . 1.0 107.993 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.433 HG11 ' HB2' ' A' ' 102' ' ' ALA . 0.9 OUTLIER -147.57 126.91 6.42 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 1.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.48 ' HG3' ' CH2' ' A' ' 99' ' ' TRP . 18.4 Cg_endo -75.0 140.05 24.99 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.453 1.765 . . . . 1.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 116' ' ' ILE . 39.1 t -72.91 -5.09 36.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 1.0 110.014 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -71.23 -34.12 70.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 1.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -97.23 9.44 42.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 1.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.427 HD11 ' CG2' ' A' ' 111' ' ' VAL . 8.6 mt -135.29 157.01 39.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 1.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.587 ' CG2' HD12 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -134.0 154.06 80.07 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 1.0 110.388 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.417 ' HA ' ' HA ' ' A' ' 66' ' ' PHE . 18.5 Cg_endo -74.95 179.46 6.04 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.461 1.769 . . . . 1.0 111.03 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.681 HG12 ' N ' ' A' ' 120' ' ' SER . 83.5 t -101.24 -107.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 1.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.681 ' N ' HG12 ' A' ' 119' ' ' VAL . 30.3 m . . . . . 0 C--O 1.25 1.1 0 CA-C-O 116.999 -1.477 . . . . 1.0 109.985 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.928 ' O ' HG23 ' A' ' 119' ' ' VAL . 4.1 mm? . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.318 -0.623 . . . . 1.0 109.318 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.565 ' CD1' ' HB3' ' A' ' 118' ' ' PRO . 1.2 m-85 -122.47 158.28 30.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 1.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -115.83 141.18 34.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 1.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 1.009 ' HB2' HD22 ' A' ' 88' ' ' LEU . . . -69.93 132.35 45.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 1.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.651 ' CD1' HG21 ' A' ' 117' ' ' THR . 1.1 mt -95.35 -77.04 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 1.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -86.26 148.24 25.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 1.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.1 p30 -72.43 -177.29 2.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.153 . . . . 1.0 109.334 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.499 ' CE1' HG23 ' A' ' 79' ' ' THR . 3.8 t80 -129.82 141.91 50.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 1.0 111.007 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.8 p -118.66 122.95 70.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 1.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.04 139.39 17.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 1.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.4 m -148.6 -66.64 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 1.0 109.962 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -111.51 172.79 15.21 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 1.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 78' ' ' ASN . 42.0 m-20 -58.76 173.3 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 1.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 77' ' ' ASP . 1.2 t-20 39.17 82.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 1.0 109.31 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.499 HG23 ' CE1' ' A' ' 72' ' ' PHE . 0.3 OUTLIER -149.28 169.72 20.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 1.0 110.434 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.616 HD12 ' N ' ' A' ' 109' ' ' GLY . 1.3 tt -135.39 117.76 15.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 1.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.0 m -99.26 111.79 24.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 1.0 109.997 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.562 ' CG1' HD22 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -128.89 -176.67 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 1.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.434 HG22 ' H ' ' A' ' 84' ' ' LYS . 16.1 m -108.43 171.68 7.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 1.0 110.43 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -75.88 165.05 25.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 1.0 109.327 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 37.49 31.02 0.06 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.497 1.123 . . . . 1.0 110.983 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 84' ' ' LYS . 4.4 tp10 -91.03 148.64 22.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 1.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -69.86 91.52 0.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 1.0 109.265 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 1.009 HD22 ' HB2' ' A' ' 68' ' ' ALA . 0.5 OUTLIER -145.6 130.04 17.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 1.0 109.285 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.6 mtp180 -135.13 149.96 50.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 1.0 110.322 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.473 ' CG1' ' HB3' ' A' ' 100' ' ' CYS . 5.1 t -69.78 134.82 29.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 1.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.2 mt -108.72 -36.7 6.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 1.0 109.334 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -132.06 172.85 20.9 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.495 1.122 . . . . 1.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.466 ' HH ' ' HE2' ' A' ' 66' ' ' PHE . 28.1 m-85 -131.25 171.97 12.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 0.757 . . . . 1.0 111.037 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.554 HD21 ' CE1' ' A' ' 95' ' ' HIS . 0.2 OUTLIER -80.91 137.27 36.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.108 . . . . 1.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.554 ' CE1' HD21 ' A' ' 94' ' ' ASN . 0.0 OUTLIER -36.84 -69.33 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 1.0 109.565 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -59.73 -59.81 4.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 1.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 131.71 68.8 0.09 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.48 1.112 . . . . 1.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.564 ' HG3' ' CD1' ' A' ' 99' ' ' TRP . 1.2 tp10 -120.48 -58.5 1.84 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 0.763 . . . . 1.0 110.29 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.564 ' CD1' ' HG3' ' A' ' 98' ' ' GLU . 14.3 m0 -120.46 179.25 4.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 1.0 107.983 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.473 ' HB3' ' CG1' ' A' ' 90' ' ' VAL . 69.5 m -136.59 139.69 42.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 1.0 108.3 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -86.96 133.12 33.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 1.0 110.284 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.434 ' O ' ' CD1' ' A' ' 80' ' ' LEU . . . -135.69 158.85 43.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 1.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.443 ' HB3' ' CG ' ' A' ' 108' ' ' GLN . 2.9 pt20 -125.92 167.19 15.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 1.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.612 ' CG2' HD21 ' A' ' 80' ' ' LEU . 6.5 p -131.74 173.49 11.1 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.556 1.16 . . . . 1.0 110.4 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.49 ' C ' ' O ' ' A' ' 104' ' ' THR . 0.2 OUTLIER -32.9 -69.43 0.09 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 1.0 109.251 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -131.68 53.81 1.97 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 1.0 109.316 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.483 ' O ' ' N ' ' A' ' 104' ' ' THR . . . -169.08 128.53 1.7 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.532 1.145 . . . . 1.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.443 ' CG ' ' HB3' ' A' ' 103' ' ' GLN . 9.4 mp0 -122.12 157.68 30.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 0.769 . . . . 1.0 110.256 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.616 ' N ' HD12 ' A' ' 80' ' ' LEU . . . 169.24 -173.54 43.65 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.546 1.154 . . . . 1.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.508 ' CH2' ' OD1' ' A' ' 94' ' ' ASN . 28.7 m95 -87.96 160.99 17.67 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.009 -1.108 . . . . 1.0 108.009 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.42 HG21 HD11 ' A' ' 116' ' ' ILE . 3.6 p -159.83 131.49 4.06 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 1.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.527 ' HB3' ' CE2' ' A' ' 99' ' ' TRP . 18.3 Cg_endo -74.99 145.4 31.44 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.45 1.763 . . . . 1.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.16 -21.57 58.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 1.0 110.012 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.431 ' ND2' ' HB2' ' A' ' 112' ' ' PRO . 1.8 p30 -69.7 -12.94 62.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 1.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -104.87 -13.32 15.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 1.0 111.036 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.42 HD11 HG21 ' A' ' 111' ' ' VAL . 62.4 mt -117.07 149.98 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 1.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.651 HG21 ' CD1' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -128.9 147.22 63.76 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 1.0 110.398 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.565 ' HB3' ' CD1' ' A' ' 66' ' ' PHE . 18.3 Cg_endo -74.98 175.23 11.5 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.536 1.809 . . . . 1.0 110.994 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.928 HG23 ' O ' ' A' ' 65' ' ' LEU . 93.1 t -81.15 -111.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 1.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.646 ' N ' HG12 ' A' ' 119' ' ' VAL . 15.2 p . . . . . 0 C--O 1.25 1.094 0 CA-C-O 117.008 -1.472 . . . . 1.0 110.015 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.599 ' O ' HG23 ' A' ' 119' ' ' VAL . 3.3 mm? . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.313 -0.625 . . . . 1.0 109.313 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.501 ' HA ' HG23 ' A' ' 119' ' ' VAL . 7.1 m-85 -112.04 163.4 14.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 1.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.591 HG22 HG22 ' A' ' 119' ' ' VAL . 0.0 OUTLIER -121.79 147.8 25.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 1.0 109.319 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.974 ' HB2' HD22 ' A' ' 88' ' ' LEU . . . -71.09 123.98 23.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 1.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.663 HD12 HG22 ' A' ' 117' ' ' THR . 0.3 OUTLIER -80.46 -78.39 0.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 1.0 109.288 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -102.46 169.42 8.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 1.0 110.99 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.498 ' CG ' ' N ' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -86.09 169.41 13.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 1.0 109.345 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.608 ' CZ ' ' O ' ' A' ' 73' ' ' VAL . 0.3 OUTLIER -104.23 146.77 28.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 1.0 111.006 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.608 ' O ' ' CZ ' ' A' ' 72' ' ' PHE . 74.6 t -101.06 153.82 4.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 1.0 109.349 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -44.35 128.31 6.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 1.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 26.8 m -150.11 -174.74 4.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 1.0 109.997 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -148.56 170.78 29.02 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.532 1.145 . . . . 1.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 78' ' ' ASN . 23.7 m-20 57.87 107.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 0.784 . . . . 1.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 77' ' ' ASP . 4.4 p30 39.48 81.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 1.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.452 HG23 ' N ' ' A' ' 80' ' ' LEU . 0.3 OUTLIER -138.01 167.62 21.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 1.0 110.38 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.802 HD22 HG12 ' A' ' 82' ' ' ILE . 1.8 tt -135.9 118.32 15.77 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.479 1.112 . . . . 1.0 109.262 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.569 ' HA ' ' CD1' ' A' ' 72' ' ' PHE . 50.8 m -90.99 108.07 19.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 1.0 110.01 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.973 HD13 HD13 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -133.41 162.54 39.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 1.0 109.279 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.436 HG22 ' H ' ' A' ' 84' ' ' LYS . 6.1 m -105.58 172.86 6.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 1.0 110.409 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -75.39 163.43 27.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 1.0 109.301 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 37.55 30.9 0.06 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.517 1.136 . . . . 1.0 111.02 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 84' ' ' LYS . 1.9 tt0 -88.08 150.51 23.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 0.766 . . . . 1.0 110.295 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -76.3 83.99 3.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 1.0 109.327 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.974 HD22 ' HB2' ' A' ' 68' ' ' ALA . 1.2 tt -131.54 133.63 45.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 1.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' A' ' 66' ' ' PHE . 20.2 mmm-85 -135.01 139.93 45.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 1.0 110.286 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.477 HG11 ' CB ' ' A' ' 100' ' ' CYS . 3.2 t -77.33 118.04 23.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 1.0 109.341 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.3 mt -112.82 -6.31 13.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 1.0 109.28 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -125.87 145.8 15.9 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.471 1.107 . . . . 1.0 110.958 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -123.83 156.0 36.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 0.79 . . . . 1.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.549 ' ND2' ' C ' ' A' ' 94' ' ' ASN . 0.0 OUTLIER -105.89 171.49 7.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 1.0 109.273 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -135.25 20.56 3.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 1.0 109.595 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -101.93 -54.95 2.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 1.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -142.87 -119.51 1.44 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.467 1.104 . . . . 1.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -121.95 68.03 0.92 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 0.759 . . . . 1.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.524 ' CH2' ' HG3' ' A' ' 112' ' ' PRO . 41.9 m95 -136.27 148.3 47.94 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.013 -1.106 . . . . 1.0 108.013 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.477 ' CB ' HG11 ' A' ' 90' ' ' VAL . 2.3 m -135.78 136.54 40.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 1.0 108.271 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -71.66 132.94 45.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 1.0 110.277 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.562 ' HB3' HD13 ' A' ' 80' ' ' LEU . . . -120.74 155.07 34.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 1.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -125.17 131.09 53.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 1.0 110.291 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.895 HG22 ' H ' ' A' ' 106' ' ' ASN . 7.6 m -106.26 139.84 40.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.078 . . . . 1.0 110.414 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -15.44 9.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 1.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.895 ' H ' HG22 ' A' ' 104' ' ' THR . 0.0 OUTLIER -96.3 -39.44 9.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 1.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.488 ' O ' ' O ' ' A' ' 104' ' ' THR . . . -160.8 -139.59 2.69 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.485 1.115 . . . . 1.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.403 ' C ' ' HG ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -150.86 174.15 13.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 0.75 . . . . 1.0 110.268 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.727 ' C ' HD12 ' A' ' 80' ' ' LEU . . . 167.4 -167.68 40.06 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.458 1.099 . . . . 1.0 111.028 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 15.8 m95 -107.67 153.76 22.45 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.985 -1.117 . . . . 1.0 107.985 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.442 HG12 ' O ' ' A' ' 100' ' ' CYS . 1.1 p -146.56 126.13 6.68 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 1.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.524 ' HG3' ' CH2' ' A' ' 99' ' ' TRP . 18.1 Cg_endo -75.04 151.42 39.31 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.486 1.782 . . . . 1.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.467 ' O ' ' O ' ' A' ' 116' ' ' ILE . 0.1 OUTLIER -72.56 -17.76 61.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 1.0 109.959 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.53 ' OD1' ' CD1' ' A' ' 115' ' ' TYR . 25.2 p30 -71.56 -16.91 62.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 1.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.737 ' O ' HD13 ' A' ' 116' ' ' ILE . 6.2 m-30 -114.16 -4.8 13.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 1.0 111.029 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.737 HD13 ' O ' ' A' ' 115' ' ' TYR . 8.6 mm -131.5 142.36 43.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 1.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.663 HG22 HD12 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -123.93 156.19 66.05 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 1.0 110.403 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.471 ' HB3' ' CD2' ' A' ' 66' ' ' PHE . 18.3 Cg_endo -74.99 178.78 6.81 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.56 1.821 . . . . 1.0 110.976 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 65' ' ' LEU . 66.9 t -109.17 4.72 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 1.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 88.7 p . . . . . 0 C--O 1.25 1.08 0 CA-C-O 116.984 -1.484 . . . . 1.0 110.006 -180.0 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.306 -0.628 . . . . 1.0 109.306 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.412 ' CD1' ' N ' ' A' ' 66' ' ' PHE . 16.4 m-85 -129.64 164.76 23.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 1.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -129.96 158.41 42.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 1.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.825 ' HB2' ' HB3' ' A' ' 88' ' ' LEU . . . -69.58 131.22 44.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 1.0 109.276 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.504 ' HG ' ' CG2' ' A' ' 117' ' ' THR . 0.3 OUTLIER -76.44 -72.44 0.33 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 1.0 109.324 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.464 ' CE2' HD22 ' A' ' 69' ' ' LEU . 53.7 m-85 -117.05 -179.28 3.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 1.0 111.052 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.68 161.35 29.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 1.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.983 ' CZ ' ' HB2' ' A' ' 74' ' ' ALA . 85.1 t80 -121.27 128.57 52.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 1.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.2 t -135.36 78.53 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 1.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.983 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . . . -75.55 -171.02 1.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 1.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.7 p -150.53 -46.51 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 1.0 110.004 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -64.63 176.39 10.96 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.532 1.145 . . . . 1.0 111.023 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.402 ' C ' ' CG ' ' A' ' 78' ' ' ASN . 0.6 OUTLIER -68.07 -176.23 0.68 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 0.742 . . . . 1.0 109.311 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.402 ' CG ' ' C ' ' A' ' 77' ' ' ASP . 1.0 OUTLIER 40.52 72.27 0.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 1.0 109.277 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.71 HG21 ' HB3' ' A' ' 74' ' ' ALA . 0.3 OUTLIER -148.42 156.9 43.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 1.0 110.388 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.85 HD12 ' C ' ' A' ' 108' ' ' GLN . 2.1 tt -133.7 115.58 14.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 1.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.0 m -78.18 109.51 12.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 1.0 110.05 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.789 HD12 ' HB3' ' A' ' 72' ' ' PHE . 0.4 OUTLIER -127.21 154.39 37.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 1.0 109.241 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.6 m -104.95 157.31 17.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 1.0 110.411 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.07 174.95 2.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 1.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 49.36 21.34 2.88 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.482 1.114 . . . . 1.0 110.971 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -110.5 172.32 6.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 0.753 . . . . 1.0 110.293 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.1 mttm -69.36 87.75 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 1.0 109.244 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.825 ' HB3' ' HB2' ' A' ' 68' ' ' ALA . 0.6 OUTLIER -137.63 110.06 7.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 1.0 109.317 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.88 144.97 51.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 1.0 110.331 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.651 HG13 ' SG ' ' A' ' 100' ' ' CYS . 39.3 t -71.0 121.59 21.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 1.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.616 HD12 ' HB3' ' A' ' 103' ' ' GLN . 2.1 mt -107.33 -25.25 11.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 1.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.401 ' O ' ' SG ' ' A' ' 100' ' ' CYS . . . -162.0 163.17 34.68 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.439 1.087 . . . . 1.0 111.007 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -119.53 -171.81 2.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 1.0 111.028 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.493 ' OD1' ' CH2' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -83.66 179.45 7.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 1.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -91.99 -45.09 8.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 1.0 109.554 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.524 ' H ' ' ND2' ' A' ' 96' ' ' ASN . 1.1 p30 -92.55 29.38 1.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 1.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 96' ' ' ASN . . . 37.21 68.21 0.38 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.457 1.098 . . . . 1.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.47 -52.9 2.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 1.0 110.299 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.583 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 7.4 m95 -127.93 -174.53 3.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 1.0 107.996 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.651 ' SG ' HG13 ' A' ' 90' ' ' VAL . 10.3 t -136.14 151.86 50.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 1.0 108.332 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -115.62 145.04 43.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 1.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.412 ' HB3' HD21 ' A' ' 88' ' ' LEU . . . -135.28 157.05 47.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 1.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.616 ' HB3' HD12 ' A' ' 91' ' ' LEU . 42.6 tt0 -105.26 143.99 32.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 1.0 110.287 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.458 ' O ' ' C ' ' A' ' 105' ' ' LYS . 53.5 m -103.47 164.56 11.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 1.0 110.358 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 104' ' ' THR . 6.9 mtpp -34.44 -45.01 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 1.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -149.68 64.44 1.0 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 1.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 166.91 -166.58 39.22 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.513 1.133 . . . . 1.0 111.031 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.85 ' C ' HD12 ' A' ' 80' ' ' LEU . 4.2 mt-30 -152.78 148.76 27.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 0.796 . . . . 1.0 110.237 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.463 ' HA3' ' CB ' ' A' ' 80' ' ' LEU . . . -143.55 179.31 21.09 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.479 1.112 . . . . 1.0 111.045 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.493 ' CH2' ' OD1' ' A' ' 94' ' ' ASN . 21.0 m95 -114.5 143.54 44.79 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.024 -1.102 . . . . 1.0 108.024 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.861 HG13 HD11 ' A' ' 116' ' ' ILE . 3.1 p -160.18 134.31 5.19 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 1.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.583 ' HD3' ' CZ3' ' A' ' 99' ' ' TRP . 18.3 Cg_endo -75.02 147.81 34.35 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.477 1.778 . . . . 1.0 110.955 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.51 -14.49 19.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 1.0 109.999 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -69.26 -37.75 78.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 1.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.45 ' CD2' ' HG2' ' A' ' 112' ' ' PRO . 11.2 m-85 -94.93 4.87 53.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 1.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.861 HD11 HG13 ' A' ' 111' ' ' VAL . 11.1 mt -115.09 150.43 17.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 1.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.504 ' CG2' ' HG ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -128.81 157.9 74.03 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 1.0 110.399 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 178.49 7.18 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.487 1.783 . . . . 1.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.77 HG22 ' N ' ' A' ' 120' ' ' SER . 1.5 p -68.45 -101.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 1.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.77 ' N ' HG22 ' A' ' 119' ' ' VAL . 75.5 m . . . . . 0 C--O 1.249 1.076 0 CA-C-O 117.02 -1.467 . . . . 1.0 109.993 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.901 ' O ' HG23 ' A' ' 119' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.331 -0.618 . . . . 1.0 109.331 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.556 ' N ' HD13 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -120.53 146.59 46.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 1.0 110.999 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' A' ' 117' ' ' THR . 0.7 OUTLIER -104.83 153.67 6.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 1.0 109.324 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.959 ' HB2' HD22 ' A' ' 88' ' ' LEU . . . -69.88 129.13 38.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 1.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.679 HD12 ' CG2' ' A' ' 117' ' ' THR . 0.2 OUTLIER -87.93 -62.84 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 1.0 109.275 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -110.58 165.27 11.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 1.0 111.05 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -74.87 -169.93 0.99 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 1.0 109.345 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.657 ' HB2' HD12 ' A' ' 82' ' ' ILE . 1.0 OUTLIER -147.4 137.94 23.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 1.0 110.987 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 75' ' ' SER . 7.1 p -103.22 146.9 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 1.0 109.36 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.464 ' HB2' ' OG ' ' A' ' 81' ' ' SER . . . -70.45 60.08 0.2 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 1.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 73' ' ' VAL . 38.3 t -151.52 109.16 3.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 1.0 110.002 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 77' ' ' ASP . . . 156.15 43.19 0.02 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 1.0 110.958 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.442 ' O ' ' O ' ' A' ' 76' ' ' GLY . 0.2 OUTLIER 43.02 95.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 0.768 . . . . 1.0 109.335 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 61.18 96.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 1.0 109.276 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.643 HG23 ' N ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -148.64 179.04 8.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 1.0 110.376 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.659 HD12 ' C ' ' A' ' 108' ' ' GLN . 1.7 tt -131.9 120.05 22.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 1.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.464 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 8.7 m -87.16 111.85 21.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 1.0 109.986 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.657 HD12 ' HB2' ' A' ' 72' ' ' PHE . 0.1 OUTLIER -119.72 177.33 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 1.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.9 m -104.47 158.06 16.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 1.0 110.405 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -72.48 165.92 23.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 1.0 109.278 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 40.0 28.1 0.14 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.524 1.14 . . . . 1.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 84' ' ' LYS . 0.3 OUTLIER -97.07 175.19 6.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 0.792 . . . . 1.0 110.3 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.91 85.57 5.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 1.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.959 HD22 ' HB2' ' A' ' 68' ' ' ALA . 1.8 tt -143.02 119.72 11.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 1.0 109.332 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.699 ' HD3' HD11 ' A' ' 65' ' ' LEU . 9.1 mtt-85 -135.72 131.14 35.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 1.0 110.346 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.542 HG22 ' HB2' ' A' ' 102' ' ' ALA . 2.6 t -68.81 115.77 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 1.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.9 mt -118.99 14.13 13.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 1.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -141.33 145.08 15.38 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.495 1.122 . . . . 1.0 110.965 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -143.83 134.69 25.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 0.805 . . . . 1.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 99' ' ' TRP . 2.8 p30 -69.56 -168.05 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 1.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 96' ' ' ASN . 9.9 p-80 -85.43 -67.41 0.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 1.0 109.609 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.433 ' N ' ' OD1' ' A' ' 94' ' ' ASN . 75.4 m-80 -40.2 -70.06 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 1.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.428 ' CA ' HD21 ' A' ' 94' ' ' ASN . . . 123.79 38.3 0.54 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.505 1.128 . . . . 1.0 110.98 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -105.85 -35.75 7.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 0.738 . . . . 1.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.575 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 15.4 m95 -131.29 156.52 45.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 1.0 108.001 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.431 ' HB2' ' CG1' ' A' ' 90' ' ' VAL . 0.8 OUTLIER -135.56 137.61 42.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 1.0 108.303 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -79.76 140.36 36.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 1.0 110.315 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.64 ' HB2' HG11 ' A' ' 111' ' ' VAL . . . -128.48 156.06 43.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 1.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.4 ' HG2' ' NE2' ' A' ' 108' ' ' GLN . 5.2 mt-30 -121.48 129.5 52.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 1.0 110.351 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 36.8 p -129.05 164.38 23.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 1.0 110.385 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -68.82 -25.25 64.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 1.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 -73.31 -26.18 60.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.595 1.184 . . . . 1.0 109.27 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.427 ' C ' HD11 ' A' ' 80' ' ' LEU . . . 159.77 -146.32 12.59 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 1.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.659 ' C ' HD12 ' A' ' 80' ' ' LEU . 32.9 mt-30 -146.49 129.53 16.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 0.76 . . . . 1.0 110.267 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -153.45 -166.87 15.09 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.495 1.122 . . . . 1.0 111.034 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.409 ' CE3' ' HB3' ' A' ' 99' ' ' TRP . 51.2 m95 -90.31 157.01 17.86 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.011 -1.107 . . . . 1.0 108.011 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.64 HG11 ' HB2' ' A' ' 102' ' ' ALA . 4.0 p -160.31 124.44 2.05 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 1.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.575 ' HD3' ' CZ3' ' A' ' 99' ' ' TRP . 18.3 Cg_endo -74.94 146.06 32.45 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.463 1.77 . . . . 1.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.544 ' HA ' HD11 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -62.13 -15.47 45.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 1.0 110.008 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -76.98 -16.26 59.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 1.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -99.65 -4.83 30.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 1.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.879 HG22 ' HA ' ' A' ' 68' ' ' ALA . 2.0 pp -133.87 161.08 41.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 1.0 109.275 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.679 ' CG2' HD12 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -141.99 154.83 65.56 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 1.0 110.395 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 167.82 26.12 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.451 1.764 . . . . 1.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.901 HG23 ' O ' ' A' ' 65' ' ' LEU . 89.7 t -73.89 -110.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 1.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.638 ' N ' HG12 ' A' ' 119' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.114 0 CA-C-O 117.009 -1.472 . . . . 1.0 109.973 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.607 ' O ' HG23 ' A' ' 119' ' ' VAL . 4.3 mm? . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.318 -0.623 . . . . 1.0 109.318 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.476 ' CD1' ' N ' ' A' ' 66' ' ' PHE . 1.5 m-85 -115.84 158.1 23.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 1.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.461 ' HA ' ' O ' ' A' ' 88' ' ' LEU . 0.0 OUTLIER -129.28 139.71 51.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 1.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.757 ' HB2' ' HB3' ' A' ' 88' ' ' LEU . . . -68.0 138.01 55.55 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 1.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.666 ' CD1' HG21 ' A' ' 117' ' ' THR . 0.6 OUTLIER -91.71 -50.47 5.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 1.0 109.289 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -116.71 177.56 4.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 1.0 111.047 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -71.92 -176.22 1.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 1.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.655 ' CZ ' HG23 ' A' ' 79' ' ' THR . 0.3 OUTLIER -102.66 161.3 13.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 1.0 110.991 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.614 ' O ' ' CE1' ' A' ' 72' ' ' PHE . 61.6 t -135.16 154.46 36.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 1.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -44.56 164.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 1.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -148.28 -172.5 4.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 1.0 110.004 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -83.89 -129.72 1.73 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.49 1.119 . . . . 1.0 110.99 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 78' ' ' ASN . 12.1 t0 -71.18 59.5 0.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 0.752 . . . . 1.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.496 ' CB ' ' O ' ' A' ' 77' ' ' ASP . 0.4 OUTLIER 154.95 118.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 1.0 109.31 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.655 HG23 ' CZ ' ' A' ' 72' ' ' PHE . 0.6 OUTLIER -138.69 149.21 44.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 1.0 110.363 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.811 HD22 HG12 ' A' ' 82' ' ' ILE . 1.8 tt -136.08 114.96 12.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 1.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.6 m -79.58 104.23 10.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 1.0 109.983 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.926 ' HB ' HD11 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -135.07 157.15 40.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 1.0 109.283 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.5 m -121.77 153.22 38.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 1.0 110.405 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -62.38 -177.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 1.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 84' ' ' LYS . . . 33.49 51.63 0.57 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.46 1.1 . . . . 1.0 110.983 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -145.74 175.29 10.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 0.761 . . . . 1.0 110.37 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.52 84.25 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 1.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.926 HD11 ' HB ' ' A' ' 82' ' ' ILE . 0.1 OUTLIER -122.81 97.83 5.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 1.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.3 129.2 41.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 1.0 110.257 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.594 HG11 ' CE1' ' A' ' 93' ' ' TYR . 41.6 t -69.5 135.75 27.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 1.0 109.255 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.6 mt -110.77 -38.19 5.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 1.0 109.343 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -131.81 166.24 23.14 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.466 1.104 . . . . 1.0 110.986 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.594 ' CE1' HG11 ' A' ' 90' ' ' VAL . 9.0 m-85 -129.48 163.93 24.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 0.783 . . . . 1.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.482 ' OD1' ' N ' ' A' ' 97' ' ' GLY . 20.3 p-10 -80.88 -156.85 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 1.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.418 ' N ' ' CG ' ' A' ' 94' ' ' ASN . 0.2 OUTLIER -108.06 -31.96 7.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 1.0 109.616 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.542 ' O ' ' C ' ' A' ' 97' ' ' GLY . 18.8 t-20 -90.59 31.39 1.04 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 1.0 109.246 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.542 ' C ' ' O ' ' A' ' 96' ' ' ASN . . . 24.6 50.83 0.03 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.482 1.114 . . . . 1.0 110.982 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 96' ' ' ASN . 0.4 OUTLIER -122.51 -54.06 1.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 0.743 . . . . 1.0 110.259 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.549 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 16.8 m95 -107.44 160.37 15.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 1.0 108.036 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.513 ' SG ' ' CD2' ' A' ' 93' ' ' TYR . 55.3 m -136.01 139.23 42.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 1.0 108.272 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.402 ' OE2' ' O ' ' A' ' 109' ' ' GLY . 17.2 tp10 -77.18 128.03 33.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 1.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.738 ' HB3' ' CG1' ' A' ' 111' ' ' VAL . . . -117.89 165.13 14.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 1.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -127.55 147.06 50.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 1.0 110.277 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.727 HG22 ' H ' ' A' ' 106' ' ' ASN . 0.9 OUTLIER -104.54 146.85 28.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 1.0 110.383 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 104' ' ' THR . 0.0 OUTLIER -36.87 -38.11 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 1.0 109.285 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.727 ' H ' HG22 ' A' ' 104' ' ' THR . 5.2 m120 -146.86 53.18 1.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 1.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.405 ' C ' ' HB ' ' A' ' 104' ' ' THR . . . 177.02 -172.66 45.6 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.539 1.149 . . . . 1.0 110.961 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -150.33 176.72 10.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 1.0 110.306 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.721 ' C ' HD12 ' A' ' 80' ' ' LEU . . . 158.3 179.58 33.28 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.472 1.108 . . . . 1.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.414 ' C ' ' CG1' ' A' ' 111' ' ' VAL . 26.1 m95 -97.61 150.69 20.87 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.003 -1.11 . . . . 1.0 108.003 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.738 ' CG1' ' HB3' ' A' ' 102' ' ' ALA . 0.9 OUTLIER -149.59 132.97 8.47 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.155 . . . . 1.0 109.288 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.549 ' HD3' ' CZ3' ' A' ' 99' ' ' TRP . 18.3 Cg_endo -75.02 139.83 24.68 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.459 1.768 . . . . 1.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 116' ' ' ILE . 0.5 OUTLIER -75.6 -9.05 58.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 1.0 110.023 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -72.68 -24.57 61.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 1.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -99.16 -2.48 36.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 1.0 111.014 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.474 HD12 HG23 ' A' ' 111' ' ' VAL . 39.8 mt -124.73 150.66 29.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 1.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.666 HG21 ' CD1' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -131.99 157.89 76.99 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 1.0 110.417 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 175.6 11.03 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.535 1.808 . . . . 1.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 65' ' ' LEU . 50.5 t -99.18 4.24 10.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.428 1.08 . . . . 1.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 83.8 p . . . . . 0 C--O 1.251 1.136 0 CA-C-O 117.0 -1.476 . . . . 1.0 110.007 180.0 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.5 mm? . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.345 -0.613 . . . . 1.0 109.345 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.481 ' N ' ' CD1' ' A' ' 66' ' ' PHE . 0.2 OUTLIER -116.45 152.01 34.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 1.0 111.028 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 117' ' ' THR . 0.7 OUTLIER -118.22 146.08 23.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 1.0 109.325 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.723 ' HB2' HD22 ' A' ' 88' ' ' LEU . . . -66.24 129.35 39.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 1.0 109.262 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.663 HD12 ' HB ' ' A' ' 117' ' ' THR . 0.2 OUTLIER -75.55 -60.63 2.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 1.0 109.294 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -112.68 163.95 13.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 1.0 110.994 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 17.1 p30 -72.54 174.95 6.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 1.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.897 ' CE1' ' HB3' ' A' ' 74' ' ' ALA . 3.8 t80 -121.31 121.24 37.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 1.0 110.961 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.586 HG22 ' O ' ' A' ' 73' ' ' VAL . 7.9 p -135.09 23.87 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 1.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.897 ' HB3' ' CE1' ' A' ' 72' ' ' PHE . . . -75.29 176.02 7.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 1.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.6 t -150.14 171.8 16.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 1.0 109.966 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 77' ' ' ASP . . . 112.37 -140.34 16.18 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.464 1.103 . . . . 1.0 111.004 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 78' ' ' ASN . 1.8 p30 -52.21 -176.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 0.79 . . . . 1.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 77' ' ' ASP . 4.2 m-80 -38.73 129.01 1.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 1.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.494 HG23 ' CE1' ' A' ' 72' ' ' PHE . 0.5 OUTLIER -146.01 169.66 18.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 1.0 110.374 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.629 HD22 HG13 ' A' ' 82' ' ' ILE . 1.1 tt -134.02 116.37 15.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 1.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.9 m -99.04 109.31 22.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 1.0 110.006 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.979 ' HB ' HD11 ' A' ' 88' ' ' LEU . 0.2 OUTLIER -136.34 -172.7 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 1.0 109.276 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.487 ' O ' ' CD1' ' A' ' 88' ' ' LEU . 17.0 m -118.1 161.19 20.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 1.0 110.389 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -75.43 172.07 13.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 1.0 109.322 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 40.12 28.09 0.15 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.456 1.098 . . . . 1.0 111.019 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -114.45 -177.38 3.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 0.774 . . . . 1.0 110.309 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.39 82.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 1.0 109.349 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.979 HD11 ' HB ' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -127.44 90.41 3.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 1.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -120.24 127.79 52.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 1.0 110.304 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.496 HG11 ' CE1' ' A' ' 93' ' ' TYR . 24.4 t -71.27 144.13 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 1.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.898 HD12 ' OE1' ' A' ' 103' ' ' GLN . 4.3 mt -117.67 -41.62 2.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 1.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -127.01 169.92 18.86 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.436 1.085 . . . . 1.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.601 ' CE2' ' SG ' ' A' ' 100' ' ' CYS . 9.7 m-85 -134.02 175.69 9.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 0.761 . . . . 1.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.614 ' OD1' ' CH2' ' A' ' 110' ' ' TRP . 5.5 m-20 -78.01 -87.96 0.05 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.573 1.171 . . . . 1.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.501 ' CB ' ' O ' ' A' ' 94' ' ' ASN . 0.1 OUTLIER 163.07 38.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 1.0 109.65 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 95' ' ' HIS . 5.1 t30 174.28 39.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 1.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 39.77 62.39 1.43 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.522 1.139 . . . . 1.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -119.37 -69.74 0.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.749 . . . . 1.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.566 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 15.9 m95 -127.71 164.2 22.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 1.0 108.031 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.601 ' SG ' ' CE2' ' A' ' 93' ' ' TYR . 18.8 m -136.33 130.27 32.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 1.0 108.255 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.571 ' HG3' ' CD1' ' A' ' 110' ' ' TRP . 26.9 tt0 -80.03 134.2 36.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 1.0 110.352 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -132.58 159.78 38.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 1.0 109.298 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.898 ' OE1' HD12 ' A' ' 91' ' ' LEU . 1.5 mt-30 -123.76 151.36 43.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 1.0 110.241 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.817 HG22 ' H ' ' A' ' 106' ' ' ASN . 1.1 m -104.6 145.16 30.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 1.0 110.44 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.461 ' HE2' HG23 ' A' ' 104' ' ' THR . 0.0 OUTLIER -39.9 -33.67 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 1.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.817 ' H ' HG22 ' A' ' 104' ' ' THR . 28.9 m-20 -142.97 57.3 1.41 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 1.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 167.64 179.25 40.26 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.443 1.089 . . . . 1.0 110.987 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -150.19 164.52 35.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 0.749 . . . . 1.0 110.327 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.406 ' O ' HD12 ' A' ' 80' ' ' LEU . . . 166.39 178.1 38.83 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.477 1.111 . . . . 1.0 111.049 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.614 ' CH2' ' OD1' ' A' ' 94' ' ' ASN . 4.4 m95 -106.45 161.77 14.29 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.956 -1.127 . . . . 1.0 107.956 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.614 HG23 ' HD2' ' A' ' 112' ' ' PRO . 3.1 p -159.75 140.95 9.27 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 1.0 109.282 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.614 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.4 Cg_endo -75.0 147.08 33.44 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 1.0 111.027 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.05 -11.17 60.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 1.0 109.991 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -69.72 -30.95 68.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 1.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -94.84 -1.12 53.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 1.0 110.976 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.546 HD11 ' CG1' ' A' ' 111' ' ' VAL . 11.6 mt -120.16 147.48 23.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 1.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.663 ' HB ' HD12 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -134.12 156.09 79.45 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.148 . . . . 1.0 110.422 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 171.04 19.09 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.515 1.798 . . . . 1.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.56 ' O ' HG12 ' A' ' 119' ' ' VAL . 35.4 t -98.91 3.92 10.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 1.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 24.7 p . . . . . 0 C--O 1.25 1.094 0 CA-C-O 117.013 -1.47 . . . . 1.0 109.984 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.821 ' O ' HG23 ' A' ' 119' ' ' VAL . 2.8 mm? . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.349 -0.612 . . . . 1.0 109.349 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.555 ' CD1' ' HA ' ' A' ' 118' ' ' PRO . 7.4 m-30 -116.52 167.05 11.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 1.0 110.964 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.6 144.48 37.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 1.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.81 ' HB2' HD22 ' A' ' 88' ' ' LEU . . . -72.03 129.95 39.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 1.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.609 ' CD1' HG21 ' A' ' 117' ' ' THR . 0.8 OUTLIER -91.28 -64.13 1.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.122 . . . . 1.0 109.341 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -100.51 165.25 11.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 1.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -86.53 169.08 13.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 1.078 . . . . 1.0 109.283 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.465 ' CE1' HG23 ' A' ' 79' ' ' THR . 2.6 t80 -117.95 143.37 46.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 1.0 110.943 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.4 ' O ' ' N ' ' A' ' 75' ' ' SER . 11.4 p -116.2 149.98 18.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 1.0 109.254 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.57 90.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 1.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 73' ' ' VAL . 29.0 t -150.13 125.7 10.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 1.0 109.989 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.0 169.19 39.53 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.486 1.117 . . . . 1.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 78' ' ' ASN . 6.9 t70 -84.49 156.96 21.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 1.0 109.312 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 77' ' ' ASP . 4.4 t30 39.9 65.74 0.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 1.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.494 HG23 ' N ' ' A' ' 80' ' ' LEU . 0.3 OUTLIER -117.81 170.0 9.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 1.0 110.368 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.932 HD22 ' CD1' ' A' ' 82' ' ' ILE . 1.4 tt -137.12 124.67 22.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 1.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.9 m -94.96 115.12 27.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 1.0 109.984 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.932 ' CD1' HD22 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -124.42 174.5 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 1.0 109.296 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -114.75 149.97 36.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 1.0 110.374 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -60.9 179.19 0.19 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 1.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 84' ' ' LYS . . . 34.57 42.27 0.3 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 1.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -122.33 154.29 37.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 0.748 . . . . 1.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.05 92.61 0.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 1.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.818 HD12 HG21 ' A' ' 82' ' ' ILE . 9.9 tt -136.15 114.72 11.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 1.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.15 137.71 51.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 1.0 110.323 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.4 t -69.95 139.72 19.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 1.0 109.324 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -108.47 -38.61 5.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 1.0 109.242 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 101' ' ' GLU . . . -137.43 156.05 23.3 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.464 1.102 . . . . 1.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.46 ' HA ' ' HA ' ' A' ' 100' ' ' CYS . 0.1 OUTLIER -124.29 177.85 5.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 0.751 . . . . 1.0 111.018 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.507 ' OD1' ' CZ3' ' A' ' 110' ' ' TRP . 0.5 OUTLIER -72.43 177.97 4.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 1.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -86.06 -58.44 2.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 1.0 109.631 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -65.11 -55.89 16.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 1.0 109.283 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 127.06 64.37 0.15 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.522 1.139 . . . . 1.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -120.38 -51.76 2.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 0.764 . . . . 1.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.543 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 7.8 m95 -125.47 175.02 7.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.101 . . . . 1.0 108.033 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.541 ' O ' HG12 ' A' ' 111' ' ' VAL . 1.4 p -136.05 143.65 44.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 1.0 108.297 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 92' ' ' GLY . 22.3 tt0 -91.99 136.98 32.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 1.0 110.313 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -133.43 153.38 51.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 1.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.427 ' CB ' ' HG3' ' A' ' 108' ' ' GLN . 16.6 tt0 -122.1 140.15 52.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 1.0 110.342 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.877 HG21 HD12 ' A' ' 82' ' ' ILE . 48.7 p -124.08 167.32 14.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 1.0 110.405 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.41 -21.04 60.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 1.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -83.43 -20.25 34.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 1.0 109.346 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 104' ' ' THR . . . 162.06 -143.06 8.45 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 1.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.706 ' C ' HD12 ' A' ' 80' ' ' LEU . 0.9 OUTLIER -150.77 160.62 43.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 0.781 . . . . 1.0 110.29 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.516 ' N ' HD12 ' A' ' 80' ' ' LEU . . . 178.41 -172.81 45.26 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.503 1.127 . . . . 1.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.507 ' CZ3' ' OD1' ' A' ' 94' ' ' ASN . 25.9 m95 -89.68 165.44 14.21 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.998 -1.112 . . . . 1.0 107.998 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.541 HG12 ' O ' ' A' ' 100' ' ' CYS . 6.4 p -160.78 134.27 4.86 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 1.0 109.312 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.543 ' HD3' ' CZ3' ' A' ' 99' ' ' TRP . 18.4 Cg_endo -74.99 146.57 32.87 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.469 1.773 . . . . 1.0 111.055 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.444 ' O ' ' O ' ' A' ' 116' ' ' ILE . 5.8 t -71.38 -27.13 63.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 1.0 109.994 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -72.29 -4.13 27.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 1.0 109.291 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -111.81 -18.6 12.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 1.0 111.002 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.553 HG23 ' HA ' ' A' ' 68' ' ' ALA . 4.8 mm -125.77 141.78 44.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 1.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.609 HG21 ' CD1' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -126.04 158.32 66.49 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 1.0 110.373 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.555 ' HA ' ' CD1' ' A' ' 66' ' ' PHE . 18.2 Cg_endo -75.0 178.41 7.31 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.528 1.804 . . . . 1.0 111.055 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.821 HG23 ' O ' ' A' ' 65' ' ' LEU . 88.8 t -89.81 -110.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 1.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.661 ' N ' HG12 ' A' ' 119' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.094 0 CA-C-O 116.99 -1.481 . . . . 1.0 109.974 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.81 ' O ' HG23 ' A' ' 119' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.309 -0.626 . . . . 1.0 109.309 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.441 ' HA ' ' HA ' ' A' ' 118' ' ' PRO . 0.7 OUTLIER -108.99 155.64 20.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 1.0 110.951 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.551 ' O ' HG23 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -120.21 158.26 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 1.0 109.332 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.877 ' HB2' HD22 ' A' ' 88' ' ' LEU . . . -69.85 128.47 36.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 1.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.585 HD22 HG21 ' A' ' 117' ' ' THR . 13.8 tp -111.37 -81.54 0.58 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 1.0 109.347 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.453 ' N ' ' HG ' ' A' ' 69' ' ' LEU . 12.0 m-85 -70.68 163.02 27.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 1.0 111.026 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.68 169.07 11.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 1.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.483 ' CD1' ' N ' ' A' ' 73' ' ' VAL . 15.0 t80 -125.75 167.2 15.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 1.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.483 ' N ' ' CD1' ' A' ' 72' ' ' PHE . 8.8 p -125.98 145.41 33.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 1.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.94 144.49 18.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 1.0 109.327 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.5 m -131.51 177.31 7.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 1.0 110.005 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -104.96 55.61 0.57 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.445 1.09 . . . . 1.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 79' ' ' THR . 0.7 OUTLIER 174.7 -172.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 0.769 . . . . 1.0 109.277 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -56.01 88.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 1.143 . . . . 1.0 109.331 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.492 HG23 ' N ' ' A' ' 80' ' ' LEU . 0.3 OUTLIER -132.77 170.37 15.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 1.0 110.432 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.835 HD21 ' OG1' ' A' ' 104' ' ' THR . 1.2 tt -134.81 116.7 15.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 1.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.3 m -98.01 110.6 23.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 1.0 109.991 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.523 ' H ' HD12 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -131.61 -174.88 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 1.0 109.319 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.7 m -125.66 157.84 36.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 1.0 110.428 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.515 ' O ' ' C ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -57.25 -179.78 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 1.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.515 ' C ' ' O ' ' A' ' 84' ' ' LYS . . . 27.99 54.2 0.11 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.495 1.122 . . . . 1.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.451 ' OE2' HG22 ' A' ' 82' ' ' ILE . 8.3 tt0 -121.23 162.0 20.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 0.782 . . . . 1.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.71 82.83 8.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 1.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.877 HD22 ' HB2' ' A' ' 68' ' ' ALA . 1.4 tt -144.71 123.07 12.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 1.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.508 ' HG2' HG12 ' A' ' 67' ' ' VAL . 31.2 mtm-85 -135.55 147.76 48.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 1.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.458 ' CG1' ' HB3' ' A' ' 100' ' ' CYS . 9.4 t -69.82 127.17 31.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 1.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.649 HD12 ' OE1' ' A' ' 103' ' ' GLN . 3.3 mt -105.91 -31.05 8.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 1.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -136.17 168.03 24.2 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 1.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.573 ' N ' ' CD1' ' A' ' 93' ' ' TYR . 0.1 OUTLIER -131.67 161.97 31.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 0.774 . . . . 1.0 111.033 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.471 ' O ' ' CB ' ' A' ' 95' ' ' HIS . 2.8 p30 -77.68 -18.13 56.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.153 . . . . 1.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.471 ' CB ' ' O ' ' A' ' 94' ' ' ASN . 0.5 OUTLIER 85.23 80.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 1.0 109.575 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 170.94 -48.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 1.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 111.61 38.36 1.46 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.54 1.15 . . . . 1.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -120.32 -62.35 1.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 0.781 . . . . 1.0 110.307 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.446 ' CE2' ' HB3' ' A' ' 112' ' ' PRO . 16.3 m95 -125.49 154.57 41.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 1.0 107.969 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.458 ' HB3' ' CG1' ' A' ' 90' ' ' VAL . 97.8 m -135.33 143.87 46.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 1.0 108.256 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -84.17 134.04 34.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 1.0 110.328 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -135.13 168.06 19.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 1.0 109.334 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.649 ' OE1' HD12 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -111.71 162.45 15.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 1.0 110.327 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.835 ' OG1' HD21 ' A' ' 80' ' ' LEU . 3.3 m -104.88 157.48 17.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 1.0 110.4 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 104' ' ' THR . 1.5 ttpt -39.75 -37.74 0.57 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 1.0 109.252 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -150.29 34.93 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 1.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.416 ' CA ' ' HB ' ' A' ' 104' ' ' THR . . . -159.9 -156.32 8.09 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.137 . . . . 1.0 110.985 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -151.28 176.5 11.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 0.774 . . . . 1.0 110.295 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.411 ' C ' HD12 ' A' ' 80' ' ' LEU . . . 155.36 -174.7 33.46 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.105 . . . . 1.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 21.7 m95 -97.97 167.17 11.07 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.005 -1.109 . . . . 1.0 108.005 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.432 HG13 ' O ' ' A' ' 111' ' ' VAL . 5.2 p -159.19 119.9 1.79 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 1.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.548 ' HG2' ' CD1' ' A' ' 115' ' ' TYR . 18.2 Cg_endo -75.01 145.15 31.05 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.527 1.804 . . . . 1.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 116' ' ' ILE . 30.4 t -69.74 -14.93 63.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 1.0 109.984 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -71.56 -22.39 61.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 1.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.548 ' CD1' ' HG2' ' A' ' 112' ' ' PRO . 29.6 m-85 -106.39 -2.36 22.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 1.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.551 HG23 ' O ' ' A' ' 67' ' ' VAL . 7.3 mm -124.81 142.2 42.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 1.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.585 HG21 HD22 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -123.66 159.44 55.62 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 1.0 110.36 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.441 ' HA ' ' HA ' ' A' ' 66' ' ' PHE . 18.1 Cg_endo -75.01 170.72 19.8 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.446 1.761 . . . . 1.0 111.014 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 65' ' ' LEU . 93.0 t -83.33 4.66 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 1.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.1 p . . . . . 0 C--O 1.251 1.135 0 CA-C-O 116.987 -1.482 . . . . 1.0 109.99 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.595 ' O ' HG23 ' A' ' 119' ' ' VAL . 4.3 mm? . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.303 -0.628 . . . . 1.0 109.303 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.567 ' CD1' ' HB ' ' A' ' 90' ' ' VAL . 0.9 OUTLIER -113.08 156.97 22.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 1.0 110.962 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.459 HG22 HG22 ' A' ' 119' ' ' VAL . 0.0 OUTLIER -121.47 141.37 42.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 1.0 109.295 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 1.003 ' HB2' HD22 ' A' ' 88' ' ' LEU . . . -70.58 139.9 51.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 1.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.483 ' HG ' HG21 ' A' ' 117' ' ' THR . 1.7 mt -107.77 -74.32 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 1.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -94.24 166.28 12.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 1.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.1 p-10 -91.73 173.88 7.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 1.0 109.262 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.405 ' HE1' ' HB2' ' A' ' 74' ' ' ALA . 10.3 t80 -138.41 139.84 39.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 1.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.8 p -125.33 101.07 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 1.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.472 ' CB ' HG22 ' A' ' 79' ' ' THR . . . -75.38 -174.85 2.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 1.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 90.4 p -144.98 62.77 1.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 1.0 110.003 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 54.37 90.1 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.505 1.128 . . . . 1.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -168.46 -179.07 3.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 1.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -63.88 -13.08 42.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 1.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.472 HG22 ' CB ' ' A' ' 74' ' ' ALA . 0.6 OUTLIER -69.82 165.64 21.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 1.0 110.423 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.54 HD12 ' C ' ' A' ' 108' ' ' GLN . 3.7 tt -135.82 117.64 15.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 1.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.488 ' O ' ' CD2' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -73.66 178.84 4.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 1.0 109.959 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 1.059 HD13 ' CD1' ' A' ' 88' ' ' LEU . 0.1 OUTLIER -152.05 162.34 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 1.0 109.34 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.3 m -104.83 152.09 23.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 1.0 110.393 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.472 ' O ' ' C ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -66.33 174.72 2.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 1.0 109.289 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.472 ' C ' ' O ' ' A' ' 84' ' ' LYS . . . 32.07 41.24 0.09 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.513 1.133 . . . . 1.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 84' ' ' LYS . 11.0 tp10 -111.07 151.34 28.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 1.0 110.254 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.44 86.42 6.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 1.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 1.059 ' CD1' HD13 ' A' ' 82' ' ' ILE . 0.4 OUTLIER -121.19 127.81 51.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 1.0 109.27 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 10.6 mtp85 -135.44 137.35 42.14 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.462 1.101 . . . . 1.0 110.307 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.567 ' HB ' ' CD1' ' A' ' 66' ' ' PHE . 98.4 t -78.2 111.53 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 1.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.1 mt -113.23 -7.94 13.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 1.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -123.2 154.21 17.18 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.504 1.128 . . . . 1.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -143.69 146.82 33.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 0.783 . . . . 1.0 110.977 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.448 ' OD1' ' N ' ' A' ' 96' ' ' ASN . 6.1 p30 -69.91 -161.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.084 . . . . 1.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -120.34 66.7 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 1.0 109.597 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.448 ' N ' ' OD1' ' A' ' 94' ' ' ASN . 8.1 t30 172.17 -63.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 1.0 109.33 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 132.04 45.28 0.14 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.523 1.139 . . . . 1.0 110.958 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -109.96 -48.62 3.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 0.76 . . . . 1.0 110.262 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.544 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 10.1 m95 -136.32 166.58 23.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 1.0 108.018 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.487 ' O ' HG12 ' A' ' 111' ' ' VAL . 33.8 m -136.36 142.98 43.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 1.0 108.273 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -85.19 136.12 33.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 1.0 110.297 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.564 ' CB ' HG11 ' A' ' 111' ' ' VAL . . . -135.2 169.95 16.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 1.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -106.68 150.68 26.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 1.0 110.329 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 105' ' ' LYS . 1.7 m -114.17 162.92 15.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 1.0 110.428 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 104' ' ' THR . 8.4 mtmt -37.32 -58.29 0.84 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 1.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -137.11 49.34 2.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 1.0 109.347 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -174.12 176.54 46.54 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.55 1.156 . . . . 1.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.54 ' C ' HD12 ' A' ' 80' ' ' LEU . 3.5 tt0 -153.28 136.54 15.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 0.73 . . . . 1.0 110.296 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -165.94 -161.01 14.02 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.557 1.161 . . . . 1.0 111.018 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 39.3 m95 -83.37 160.24 21.67 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.984 -1.117 . . . . 1.0 107.984 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.741 HG23 HD11 ' A' ' 82' ' ' ILE . 3.6 p -160.06 126.25 2.42 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 1.0 109.352 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.544 ' HD3' ' CZ3' ' A' ' 99' ' ' TRP . 18.3 Cg_endo -74.91 140.47 25.75 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.475 1.777 . . . . 1.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.424 ' O ' ' O ' ' A' ' 116' ' ' ILE . 43.2 t -74.88 -8.36 56.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 1.0 110.002 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -70.43 -27.68 64.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 1.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -98.49 -5.25 32.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 1.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.674 HD11 ' CG2' ' A' ' 111' ' ' VAL . 13.3 mt -121.97 163.64 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 1.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.483 HG21 ' HG ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -141.96 154.78 65.58 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.429 1.081 . . . . 1.0 110.398 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.403 ' HA ' ' HA ' ' A' ' 66' ' ' PHE . 18.4 Cg_endo -74.95 177.96 7.87 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.445 1.761 . . . . 1.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 65' ' ' LEU . 74.9 t -105.32 4.46 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 1.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 42.6 m . . . . . 0 C--O 1.249 1.062 0 CA-C-O 117.06 -1.448 . . . . 1.0 109.966 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' A' ' 65' ' ' LEU . 4.0 mm? . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.32 -0.622 . . . . 1.0 109.32 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.486 ' CD1' ' N ' ' A' ' 66' ' ' PHE . 0.1 OUTLIER -121.64 152.86 38.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 1.0 111.004 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -121.36 153.03 25.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 1.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 1.061 ' HB2' HD23 ' A' ' 88' ' ' LEU . . . -74.77 98.05 3.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 1.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.458 ' HB2' ' CG2' ' A' ' 117' ' ' THR . 0.1 OUTLIER -84.94 -41.0 16.33 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 1.0 109.265 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -97.49 163.08 13.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 1.0 110.985 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.76 154.48 17.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 1.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.969 ' CE1' ' HB3' ' A' ' 74' ' ' ALA . 8.5 t80 -126.85 122.01 33.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 1.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.543 ' O ' HG12 ' A' ' 73' ' ' VAL . 47.9 t -134.56 44.06 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 1.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.969 ' HB3' ' CE1' ' A' ' 72' ' ' PHE . . . -75.2 174.27 9.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 1.0 109.297 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 59.5 p -148.61 121.5 8.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 1.0 109.959 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 172.41 -147.72 10.13 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.512 1.132 . . . . 1.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 78' ' ' ASN . 3.3 m-20 -105.35 152.94 22.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 0.752 . . . . 1.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 77' ' ' ASP . 7.3 m120 39.97 69.52 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 1.0 109.31 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.482 HG23 ' N ' ' A' ' 80' ' ' LEU . 0.5 OUTLIER -127.4 170.0 13.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 1.0 110.401 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.9 HD21 HG21 ' A' ' 104' ' ' THR . 1.4 tt -134.9 116.67 15.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 1.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.0 m -106.88 112.49 25.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 1.0 110.008 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.472 HG12 HD13 ' A' ' 88' ' ' LEU . 0.2 OUTLIER -128.25 -178.42 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 1.0 109.284 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.5 m -121.84 159.26 27.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 1.0 110.397 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.484 ' O ' ' C ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -62.21 -176.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 1.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.484 ' C ' ' O ' ' A' ' 84' ' ' LYS . . . 30.56 43.97 0.08 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.484 1.115 . . . . 1.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -118.8 156.75 28.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 0.739 . . . . 1.0 110.285 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.52 84.2 7.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 1.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 1.061 HD23 ' HB2' ' A' ' 68' ' ' ALA . 0.1 OUTLIER -141.36 122.25 14.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 1.0 109.308 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.462 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -132.85 153.25 51.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 1.0 110.342 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 77.3 t -69.93 135.28 28.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 1.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.531 HD13 ' CD ' ' A' ' 103' ' ' GLN . 0.4 OUTLIER -104.37 -43.14 5.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 1.0 109.263 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -146.6 163.13 28.53 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.509 1.13 . . . . 1.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -121.29 155.74 34.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.767 . . . . 1.0 111.03 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 95' ' ' HIS . 0.4 OUTLIER -72.66 175.96 5.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 1.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.547 ' O ' ' ND2' ' A' ' 96' ' ' ASN . 36.0 t-80 -73.27 58.17 0.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 1.0 109.603 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.547 ' ND2' ' O ' ' A' ' 95' ' ' HIS . 0.7 OUTLIER 157.88 177.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.128 . . . . 1.0 109.321 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -99.77 63.75 0.66 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.468 1.105 . . . . 1.0 110.969 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -120.72 -63.43 1.35 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 0.759 . . . . 1.0 110.28 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.468 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 14.6 m95 -135.24 159.92 40.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 1.0 107.98 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.418 ' O ' HG12 ' A' ' 111' ' ' VAL . 14.3 m -136.11 142.11 44.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 1.0 108.293 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -79.1 132.69 36.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 1.0 110.307 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.511 ' CB ' HG11 ' A' ' 111' ' ' VAL . . . -132.25 163.88 27.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 1.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.531 ' CD ' HD13 ' A' ' 91' ' ' LEU . 34.3 mt-30 -126.2 161.78 26.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 1.0 110.252 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.9 HG21 HD21 ' A' ' 80' ' ' LEU . 4.5 p -134.76 166.82 22.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 1.0 110.427 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.469 ' C ' ' O ' ' A' ' 104' ' ' THR . 4.4 tptt -35.65 -60.37 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 1.0 109.342 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -136.9 56.77 1.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 1.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.489 ' O ' ' N ' ' A' ' 104' ' ' THR . . . -176.29 148.64 9.28 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.492 1.12 . . . . 1.0 111.053 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.476 ' HG3' ' CG ' ' A' ' 103' ' ' GLN . 44.5 tt0 -150.75 151.35 32.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 0.74 . . . . 1.0 110.329 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.505 ' H ' HD12 ' A' ' 80' ' ' LEU . . . 172.51 -160.21 31.33 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.501 1.126 . . . . 1.0 111.016 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 29.1 m95 -84.15 146.08 28.05 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.0 -1.111 . . . . 1.0 108.0 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.593 ' CG2' HD11 ' A' ' 116' ' ' ILE . 1.2 p -148.21 124.96 5.47 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 1.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.556 ' HG2' ' CD1' ' A' ' 115' ' ' TYR . 18.3 Cg_endo -75.02 144.61 30.37 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.465 1.771 . . . . 1.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.439 ' O ' ' O ' ' A' ' 116' ' ' ILE . 0.1 OUTLIER -75.0 -14.27 60.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 1.0 109.993 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -74.08 -14.99 61.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 1.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.556 ' CD1' ' HG2' ' A' ' 112' ' ' PRO . 13.7 m-85 -104.05 -10.79 17.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 1.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.593 HD11 ' CG2' ' A' ' 111' ' ' VAL . 13.1 mt -124.04 143.29 37.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 1.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.458 ' CG2' ' HB2' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -131.86 158.66 74.84 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 1.0 110.409 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.441 ' HA ' ' HA ' ' A' ' 66' ' ' PHE . 18.5 Cg_endo -74.98 168.19 25.39 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.51 1.795 . . . . 1.0 111.038 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.656 HG12 ' N ' ' A' ' 120' ' ' SER . 87.6 t -76.66 -110.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 1.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.656 ' N ' HG12 ' A' ' 119' ' ' VAL . 26.2 m . . . . . 0 C--O 1.251 1.136 0 CA-C-O 116.934 -1.508 . . . . 1.0 109.99 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.546 ' N ' HD22 ' A' ' 65' ' ' LEU . 1.8 mm? -98.47 150.2 21.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 109.33 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.449 ' HA ' ' HA ' ' A' ' 118' ' ' PRO . 0.3 OUTLIER -115.9 153.75 30.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 1.0 110.973 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.953 ' O ' HG23 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -118.35 162.51 16.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 1.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.786 ' HB2' ' HB3' ' A' ' 88' ' ' LEU . . . -68.98 132.16 46.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 1.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.483 ' HB2' ' CG2' ' A' ' 117' ' ' THR . 10.4 tp -113.13 -79.3 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 1.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.43 ' N ' ' HG ' ' A' ' 69' ' ' LEU . 10.9 m-85 -79.93 163.85 23.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 1.0 110.99 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -87.58 176.73 7.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 1.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.448 ' CB ' HD12 ' A' ' 82' ' ' ILE . 6.6 t80 -136.46 167.28 21.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 1.0 110.974 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.418 ' N ' ' CD1' ' A' ' 72' ' ' PHE . 88.6 t -127.21 143.22 41.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 1.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.54 158.55 1.76 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.54 1.15 . . . . 1.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.9 t -149.1 -57.95 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 1.0 110.015 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -164.35 -155.26 8.26 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.505 1.128 . . . . 1.0 110.978 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.4 ' O ' ' CG ' ' A' ' 78' ' ' ASN . 4.9 t70 -93.6 60.07 2.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 0.793 . . . . 1.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.4 ' CG ' ' O ' ' A' ' 77' ' ' ASP . 15.7 m-80 -163.47 -43.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 1.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.557 HG23 ' N ' ' A' ' 80' ' ' LEU . 0.3 OUTLIER -69.63 173.88 5.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 1.0 110.374 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.799 ' CD2' HG21 ' A' ' 104' ' ' THR . 1.6 tt -133.96 117.54 16.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 1.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.1 m -93.63 111.93 23.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 1.0 109.974 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.633 ' H ' HD12 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -130.62 -177.72 2.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.12 . . . . 1.0 109.358 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.0 m -106.58 170.13 8.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 1.0 110.378 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -72.55 161.58 30.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 1.0 109.24 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 37.66 30.12 0.06 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 1.0 110.982 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.741 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 1.5 tt0 -83.17 160.64 21.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 0.755 . . . . 1.0 110.293 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.0 84.42 6.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 1.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.805 HD23 ' O ' ' A' ' 88' ' ' LEU . 0.6 OUTLIER -140.52 113.82 8.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 1.0 109.296 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.485 ' HE ' HD12 ' A' ' 65' ' ' LEU . 24.3 ttt-85 -118.07 146.29 44.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 1.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 89.3 t -70.64 134.77 29.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 1.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.482 ' HA ' HD23 ' A' ' 91' ' ' LEU . 2.7 mt -107.26 -40.3 5.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 1.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -138.14 166.79 25.12 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.519 1.137 . . . . 1.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -120.28 174.94 6.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.766 . . . . 1.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -92.56 21.86 5.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 1.0 109.256 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 69.26 36.73 2.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 1.0 109.597 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -176.99 -175.38 0.59 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 1.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -106.26 54.7 0.57 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.486 1.116 . . . . 1.0 110.965 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -120.31 -66.9 1.02 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 0.806 . . . . 1.0 110.315 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.559 ' CZ2' ' HB3' ' A' ' 112' ' ' PRO . 19.8 m95 -135.3 156.27 49.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 1.0 108.006 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.436 ' O ' HG22 ' A' ' 111' ' ' VAL . 4.4 m -136.04 140.99 44.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 1.0 108.286 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.19 134.87 35.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 1.0 110.332 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.868 ' HB3' HG11 ' A' ' 111' ' ' VAL . . . -134.3 163.11 30.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 1.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.44 ' CD ' HD12 ' A' ' 91' ' ' LEU . 32.8 mt-30 -115.87 161.69 18.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 1.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.799 HG21 ' CD2' ' A' ' 80' ' ' LEU . 4.2 p -135.46 145.97 47.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 1.0 110.395 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.56 -21.87 29.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 1.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -86.77 -40.11 15.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 1.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 104' ' ' THR . . . -171.64 -131.3 1.33 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.481 1.113 . . . . 1.0 110.962 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -148.71 178.69 8.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 0.783 . . . . 1.0 110.346 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.658 ' N ' HD12 ' A' ' 80' ' ' LEU . . . 158.1 -177.48 34.8 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.554 1.159 . . . . 1.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 26.6 m95 -88.46 155.33 19.73 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.985 -1.117 . . . . 1.0 107.985 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.868 HG11 ' HB3' ' A' ' 102' ' ' ALA . 1.0 OUTLIER -147.39 123.5 5.46 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 1.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.565 ' HG2' ' CD1' ' A' ' 115' ' ' TYR . 18.3 Cg_endo -75.04 145.52 31.41 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.451 1.764 . . . . 1.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.425 ' O ' ' O ' ' A' ' 116' ' ' ILE . 0.3 OUTLIER -68.88 -19.22 64.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 1.0 109.994 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.37 -11.33 60.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 1.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.565 ' CD1' ' HG2' ' A' ' 112' ' ' PRO . 5.4 m-85 -105.63 -10.11 16.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 1.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.953 HG23 ' O ' ' A' ' 67' ' ' VAL . 3.6 mt -127.82 143.17 41.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 1.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.483 ' CG2' ' HB2' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -123.28 160.11 51.63 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 1.0 110.373 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.449 ' HA ' ' HA ' ' A' ' 66' ' ' PHE . 18.3 Cg_endo -74.96 168.82 23.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.505 1.792 . . . . 1.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.534 ' O ' HG12 ' A' ' 119' ' ' VAL . 95.8 t -83.58 4.74 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 1.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 9.3 t . . . . . 0 C--O 1.249 1.069 0 CA-C-O 116.975 -1.488 . . . . 1.0 110.02 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.452 HD13 ' HA ' ' A' ' 65' ' ' LEU . 4.2 mm? -70.0 178.44 2.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.413 ' CD1' ' N ' ' A' ' 66' ' ' PHE . 0.1 OUTLIER -119.88 151.35 39.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 1.0 111.044 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 117' ' ' THR . 0.2 OUTLIER -111.39 -175.97 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 1.0 109.292 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.876 ' HB2' ' HB3' ' A' ' 88' ' ' LEU . . . -68.14 133.35 48.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 1.0 109.34 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.647 ' HB2' HG22 ' A' ' 117' ' ' THR . 14.9 tp -101.62 -81.66 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 1.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.437 ' N ' ' HG ' ' A' ' 69' ' ' LEU . 9.2 m-85 -99.26 163.95 12.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 1.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.4 168.02 20.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.16 . . . . 1.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.618 ' CE2' ' O ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -104.78 153.17 21.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 1.0 110.984 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 84.1 t -119.1 139.98 44.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 1.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -45.58 147.71 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 1.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.531 ' CB ' HG21 ' A' ' 79' ' ' THR . 0.3 OUTLIER -149.0 170.02 19.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 1.0 109.965 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 77' ' ' ASP . . . -96.17 -82.9 1.64 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.545 1.153 . . . . 1.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 78' ' ' ASN . 10.3 p-10 -46.04 170.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 0.765 . . . . 1.0 109.318 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 77' ' ' ASP . 6.4 m120 -39.3 110.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 1.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.547 HG23 ' N ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -142.54 174.02 11.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 1.0 110.395 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.963 HD22 ' CG1' ' A' ' 82' ' ' ILE . 1.0 OUTLIER -132.12 117.35 18.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 1.0 109.31 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.1 m -97.68 109.37 22.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 1.0 110.028 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.963 ' CG1' HD22 ' A' ' 80' ' ' LEU . 1.2 mt -136.44 175.02 11.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 1.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.52 ' H ' HG22 ' A' ' 82' ' ' ILE . 5.2 m -123.61 157.93 32.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 1.0 110.376 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.49 ' HG2' ' N ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -68.39 -177.36 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 1.0 109.324 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.49 ' N ' ' HG2' ' A' ' 84' ' ' LYS . . . 34.93 44.01 0.46 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.499 1.124 . . . . 1.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.44 ' OE2' ' NZ ' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -136.46 175.07 9.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 0.738 . . . . 1.0 110.318 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -69.29 70.3 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 1.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.876 ' HB3' ' HB2' ' A' ' 68' ' ' ALA . 0.2 OUTLIER -128.36 102.09 6.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 1.0 109.242 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 14.5 mtt-85 -136.59 141.36 43.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 1.0 110.288 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.715 ' CG2' HD12 ' A' ' 116' ' ' ILE . 7.3 t -68.09 114.91 5.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 1.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.4 mt -115.72 4.48 14.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 1.0 109.259 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -148.44 155.88 26.61 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.557 1.16 . . . . 1.0 111.016 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -134.53 156.55 48.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 1.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.524 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 0.2 OUTLIER -69.63 -74.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 1.0 109.264 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.524 ' CG ' ' O ' ' A' ' 94' ' ' ASN . 1.0 OUTLIER 165.69 -67.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 1.0 109.635 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.482 ' H ' ' ND2' ' A' ' 96' ' ' ASN . 1.6 p30 -65.81 -52.36 51.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 1.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 134.26 61.01 0.07 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.447 1.092 . . . . 1.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -117.35 -61.01 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 1.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.587 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 9.1 m95 -131.6 172.8 11.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 1.0 107.998 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 82.2 m -135.71 140.03 44.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 1.0 108.301 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -76.42 133.83 39.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 1.0 110.263 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.561 ' HB3' ' CG1' ' A' ' 111' ' ' VAL . . . -120.43 162.97 18.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.157 . . . . 1.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.441 ' CG ' ' HG3' ' A' ' 108' ' ' GLN . 1.8 mt-30 -134.45 143.1 47.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.08 . . . . 1.0 110.312 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.84 ' CG2' HD21 ' A' ' 80' ' ' LEU . 0.7 OUTLIER -104.71 156.88 17.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 1.0 110.398 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.44 ' NZ ' ' OE2' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -37.97 -45.62 0.9 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 1.0 109.292 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -141.96 65.84 1.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 1.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 167.13 -172.33 42.15 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.494 1.121 . . . . 1.0 110.981 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.473 ' HB2' HE21 ' A' ' 108' ' ' GLN . 0.0 OUTLIER -151.96 -176.44 5.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 0.767 . . . . 1.0 110.323 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.42 ' CA ' HD12 ' A' ' 80' ' ' LEU . . . 160.01 179.91 35.11 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 1.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.474 ' C ' ' CG1' ' A' ' 111' ' ' VAL . 12.4 m95 -104.38 151.01 24.0 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.021 -1.103 . . . . 1.0 108.021 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.561 ' CG1' ' HB3' ' A' ' 102' ' ' ALA . 0.9 OUTLIER -152.88 145.65 17.4 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 1.0 109.297 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.587 ' HD3' ' CZ3' ' A' ' 99' ' ' TRP . 18.2 Cg_endo -75.01 161.49 38.67 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.529 1.805 . . . . 1.0 110.987 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.639 ' HA ' HD11 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -75.33 -29.65 60.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 1.0 110.018 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -80.29 4.3 18.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 1.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.587 ' CD1' ' HG2' ' A' ' 112' ' ' PRO . 0.0 OUTLIER -96.71 -12.48 23.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 1.0 111.014 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.715 HD12 ' CG2' ' A' ' 90' ' ' VAL . 0.1 OUTLIER -121.83 171.52 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 1.0 109.312 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.647 HG22 ' HB2' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -134.34 148.54 68.1 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 1.0 110.386 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 117' ' ' THR . 18.3 Cg_endo -74.97 167.16 27.67 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.479 1.778 . . . . 1.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.545 ' O ' HG12 ' A' ' 119' ' ' VAL . 79.3 t -97.89 4.55 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 1.0 109.334 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 117.014 -1.47 . . . . 1.0 109.982 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . 1.312 ' HB3' ' CZ ' ' A' ' 66' ' ' PHE . 47.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.604 ' O ' HG23 ' A' ' 119' ' ' VAL . 3.0 mm? -108.47 101.41 10.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 1.312 ' CZ ' ' HB3' ' A' ' 64' ' ' SER . 3.2 m-85 -116.31 160.94 19.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 1.0 110.955 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.601 HG22 HG22 ' A' ' 119' ' ' VAL . 0.0 OUTLIER -129.67 141.88 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 1.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.855 ' HA ' HG23 ' A' ' 116' ' ' ILE . . . -69.76 134.2 48.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 1.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.458 ' CD1' HG21 ' A' ' 117' ' ' THR . 0.8 OUTLIER -90.44 -57.11 2.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 1.0 109.252 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -103.76 166.74 10.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 1.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -78.3 -173.99 3.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 1.0 109.284 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.61 ' CE1' ' HA ' ' A' ' 81' ' ' SER . 0.0 OUTLIER -102.53 158.0 16.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 1.0 111.013 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 75' ' ' SER . 53.4 t -135.35 110.43 11.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.493 1.121 . . . . 1.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -48.07 94.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 1.0 109.325 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 73' ' ' VAL . 0.2 OUTLIER -150.5 103.82 3.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 1.0 110.011 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 128.66 173.94 13.58 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.493 1.121 . . . . 1.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.531 ' O ' ' ND2' ' A' ' 78' ' ' ASN . 29.1 t0 -112.8 52.01 0.8 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 1.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' A' ' 77' ' ' ASP . 0.5 OUTLIER 168.01 41.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 1.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.609 HG23 ' N ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -104.55 176.84 5.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 1.0 110.377 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.884 HD12 ' C ' ' A' ' 108' ' ' GLN . 3.7 tt -135.85 119.94 17.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 1.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.61 ' HA ' ' CE1' ' A' ' 72' ' ' PHE . 20.1 m -71.88 110.52 6.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 1.0 109.999 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.97 HD12 HD11 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -133.95 157.69 42.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 1.0 109.322 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -113.05 148.6 34.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 1.0 110.455 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -58.07 -175.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 1.0 109.292 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 84' ' ' LYS . . . 34.09 38.73 0.11 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 1.0 111.037 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.401 ' HG2' ' NZ ' ' A' ' 105' ' ' LYS . 2.6 tt0 -126.25 174.1 8.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 1.0 110.249 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.403 ' HE2' ' NH2' ' A' ' 89' ' ' ARG . 0.1 OUTLIER -69.11 80.83 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 1.0 109.328 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.97 HD11 HD12 ' A' ' 82' ' ' ILE . 2.7 tt -129.26 102.5 6.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 1.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.403 ' NH2' ' HE2' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -135.08 142.05 46.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 1.0 110.336 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.488 ' HB ' ' CD1' ' A' ' 66' ' ' PHE . 69.9 t -69.56 142.77 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 1.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.674 HD12 ' HB2' ' A' ' 103' ' ' GLN . 3.5 mt -110.9 -45.99 3.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 1.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -148.2 163.68 28.93 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.537 1.148 . . . . 1.0 110.946 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.463 ' N ' ' CD1' ' A' ' 93' ' ' TYR . 0.2 OUTLIER -119.0 146.78 44.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 0.775 . . . . 1.0 110.988 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 95' ' ' HIS . 0.5 OUTLIER -71.05 171.68 10.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 1.0 109.287 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.454 ' N ' ' OD1' ' A' ' 94' ' ' ASN . 17.8 m170 -38.35 -80.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 1.0 109.646 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.449 ' ND2' ' OE2' ' A' ' 98' ' ' GLU . 3.5 p-10 -69.92 178.39 2.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 1.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -102.09 68.62 0.38 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.115 . . . . 1.0 111.016 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.449 ' OE2' ' ND2' ' A' ' 96' ' ' ASN . 23.3 mt-10 -119.92 -59.35 1.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 0.801 . . . . 1.0 110.267 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.452 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 19.4 m95 -128.26 157.56 40.57 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.018 -1.104 . . . . 1.0 108.018 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 25.4 m -135.45 143.36 45.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 1.0 108.316 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -79.87 131.3 35.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 1.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.744 ' HB2' HG11 ' A' ' 111' ' ' VAL . . . -119.46 160.59 22.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 1.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.674 ' HB2' HD12 ' A' ' 91' ' ' LEU . 20.4 tt0 -117.85 138.48 52.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 1.0 110.25 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 105' ' ' LYS . 23.4 m -104.52 150.84 24.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 1.0 110.417 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 104' ' ' THR . 0.0 OUTLIER -39.05 -44.85 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 1.0 109.296 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -142.1 62.24 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 1.0 109.245 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 164.25 174.49 34.09 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.46 1.1 . . . . 1.0 110.975 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.884 ' C ' HD12 ' A' ' 80' ' ' LEU . 2.6 mt-30 -151.52 149.49 29.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.761 . . . . 1.0 110.315 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -171.58 -169.56 34.59 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.499 1.124 . . . . 1.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 41.8 m95 -91.12 153.65 19.92 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.995 -1.113 . . . . 1.0 107.995 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.744 HG11 ' HB2' ' A' ' 102' ' ' ALA . 2.1 p -153.46 122.31 3.16 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 1.0 109.339 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.452 ' HD3' ' CZ3' ' A' ' 99' ' ' TRP . 18.4 Cg_endo -74.97 143.3 29.01 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.476 1.777 . . . . 1.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.45 ' O ' ' O ' ' A' ' 116' ' ' ILE . 0.4 OUTLIER -70.67 -25.03 62.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 1.0 110.037 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.421 ' ND2' ' HB2' ' A' ' 112' ' ' PRO . 2.6 p30 -69.56 -9.13 52.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 1.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.736 ' O ' HD13 ' A' ' 116' ' ' ILE . 1.7 m-85 -112.62 -18.57 12.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 1.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.855 HG23 ' HA ' ' A' ' 68' ' ' ALA . 3.8 mm -124.46 137.36 57.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 1.0 109.344 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.458 HG21 ' CD1' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -120.34 159.79 46.28 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 1.0 110.378 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.571 ' HB3' ' CD2' ' A' ' 66' ' ' PHE . 18.3 Cg_endo -75.01 178.83 6.75 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.474 1.776 . . . . 1.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 65' ' ' LEU . 82.8 t -102.75 4.58 10.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 1.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 C--O 1.25 1.092 0 CA-C-O 116.992 -1.48 . . . . 1.0 110.019 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.565 ' O ' HG23 ' A' ' 119' ' ' VAL . 0.1 OUTLIER -103.18 158.11 16.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 109.324 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.465 ' HA ' HG23 ' A' ' 119' ' ' VAL . 7.2 m-85 -123.65 161.34 25.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 1.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.566 ' O ' HG23 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -120.59 162.8 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 1.0 109.312 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.825 ' HB2' ' HB3' ' A' ' 88' ' ' LEU . . . -69.68 131.76 45.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 1.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.662 HD22 ' CE2' ' A' ' 70' ' ' TYR . 0.4 OUTLIER -83.35 -76.41 0.28 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 1.0 109.277 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.662 ' CE2' HD22 ' A' ' 69' ' ' LEU . 60.5 m-85 -111.01 172.89 6.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 1.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.3 p30 -85.32 177.39 7.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 1.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.584 ' CZ ' ' CG2' ' A' ' 79' ' ' THR . 26.6 t80 -105.97 159.13 16.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 1.0 111.034 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.778 HG13 ' N ' ' A' ' 74' ' ' ALA . 1.5 p -105.25 -151.91 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 1.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.778 ' N ' HG13 ' A' ' 73' ' ' VAL . . . -44.82 164.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 1.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 79.7 p -101.39 179.93 4.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 1.0 109.996 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 151.25 129.37 1.56 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.497 1.123 . . . . 1.0 110.97 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.4 t0 66.78 -165.28 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.767 . . . . 1.0 109.25 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -71.44 72.36 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 1.0 109.324 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.584 ' CG2' ' CZ ' ' A' ' 72' ' ' PHE . 0.4 OUTLIER -126.63 167.23 15.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 1.0 110.37 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.993 HD22 ' CD1' ' A' ' 82' ' ' ILE . 1.6 tt -136.33 119.3 16.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 1.0 109.337 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.532 ' C ' HD13 ' A' ' 82' ' ' ILE . 36.8 m -87.07 115.26 24.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 1.0 110.048 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.993 ' CD1' HD22 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -113.4 169.83 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 1.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.5 m -114.03 156.48 24.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 1.0 110.39 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.493 ' O ' ' C ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -57.96 178.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 1.0 109.287 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.493 ' C ' ' O ' ' A' ' 84' ' ' LYS . . . 30.18 51.31 0.18 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.111 . . . . 1.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -120.84 161.76 20.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 0.759 . . . . 1.0 110.29 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.61 86.81 7.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 1.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.825 ' HB3' ' HB2' ' A' ' 68' ' ' ALA . 1.9 tt -131.58 116.6 17.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 1.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.659 ' N ' HD23 ' A' ' 88' ' ' LEU . 50.3 mtt-85 -131.71 152.57 50.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 1.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.535 ' CG2' HD13 ' A' ' 116' ' ' ILE . 41.7 t -75.02 146.28 9.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 1.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.1 mt -114.08 -46.51 3.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 1.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -148.36 158.05 27.54 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.484 1.115 . . . . 1.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -111.66 168.5 9.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 0.8 . . . . 1.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.595 ' O ' ' CB ' ' A' ' 95' ' ' HIS . 0.8 OUTLIER -97.98 -47.16 5.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 1.0 109.292 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.6 ' CG ' ' N ' ' A' ' 96' ' ' ASN . 14.3 t60 154.13 170.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 1.0 109.604 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.6 ' N ' ' CG ' ' A' ' 95' ' ' HIS . 46.7 t30 41.12 28.92 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 1.0 109.32 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.439 ' N ' ' C ' ' A' ' 95' ' ' HIS . . . 36.11 59.64 0.93 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.521 1.138 . . . . 1.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -102.66 -63.16 1.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 0.787 . . . . 1.0 110.334 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.525 ' CE2' ' HB3' ' A' ' 112' ' ' PRO . 21.3 m95 -133.1 149.72 52.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 1.0 107.977 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.538 ' O ' HG12 ' A' ' 111' ' ' VAL . 4.0 m -135.93 139.34 43.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 1.0 108.286 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -81.87 135.03 35.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 1.0 110.338 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -133.73 162.13 32.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 1.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.452 ' CB ' ' HG3' ' A' ' 108' ' ' GLN . 20.8 tt0 -116.86 140.35 49.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 1.0 110.298 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.818 HG21 HD12 ' A' ' 82' ' ' ILE . 31.0 p -114.31 152.58 31.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 1.0 110.427 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -18.02 36.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 1.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -88.05 -39.42 14.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 1.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -173.14 -137.17 2.32 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.528 1.142 . . . . 1.0 111.056 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.796 ' C ' HD12 ' A' ' 80' ' ' LEU . 1.0 OUTLIER -151.69 148.34 27.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 0.763 . . . . 1.0 110.286 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -169.72 -167.47 30.29 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.524 1.14 . . . . 1.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -93.81 157.58 16.07 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.972 -1.122 . . . . 1.0 107.972 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.797 HG13 HD11 ' A' ' 116' ' ' ILE . 7.2 p -154.88 131.71 6.0 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 1.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.525 ' HB3' ' CE2' ' A' ' 99' ' ' TRP . 18.5 Cg_endo -74.93 144.6 30.7 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.455 1.766 . . . . 1.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.3 t -73.17 -25.99 61.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 1.0 109.998 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -69.36 -8.64 48.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 1.0 109.266 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.403 ' CD2' ' HG2' ' A' ' 112' ' ' PRO . 2.1 m-85 -114.55 2.82 14.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 1.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.797 HD11 HG13 ' A' ' 111' ' ' VAL . 9.5 mt -118.71 155.99 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 1.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.518 ' CG2' ' HG ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -125.16 155.21 71.42 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 1.0 110.405 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 171.13 18.92 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.467 1.772 . . . . 1.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 65' ' ' LEU . 45.2 t -98.67 4.2 10.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 1.0 109.293 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.0 t . . . . . 0 C--O 1.25 1.121 0 CA-C-O 116.996 -1.478 . . . . 1.0 110.018 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.581 ' O ' ' CE1' ' A' ' 66' ' ' PHE . 47.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.444 ' C ' HD13 ' A' ' 65' ' ' LEU . 0.8 OUTLIER -104.98 112.86 26.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 109.329 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.581 ' CE1' ' O ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -117.81 147.6 42.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 1.0 110.981 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -122.38 148.28 26.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 1.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 1.063 ' HB2' HD22 ' A' ' 88' ' ' LEU . . . -78.12 97.36 5.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 1.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.722 HD13 HG23 ' A' ' 117' ' ' THR . 3.0 mp -84.73 -26.32 27.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 1.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -93.84 153.79 18.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 1.0 111.007 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.72 162.17 13.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 1.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.557 ' HB2' HD12 ' A' ' 82' ' ' ILE . 1.4 t80 -121.63 151.81 40.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 1.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 6.0 p -121.19 127.98 75.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 1.0 109.349 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.25 100.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 1.0 109.264 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 39.2 t -150.1 97.77 2.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 1.0 109.987 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 99.29 163.22 29.53 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.486 1.116 . . . . 1.0 111.028 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.452 ' O ' ' CB ' ' A' ' 78' ' ' ASN . 0.9 OUTLIER -89.18 157.13 18.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 0.778 . . . . 1.0 109.317 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.452 ' CB ' ' O ' ' A' ' 77' ' ' ASP . 3.1 m120 79.12 -0.47 2.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 1.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.531 HG23 ' N ' ' A' ' 80' ' ' LEU . 0.3 OUTLIER -86.35 172.48 10.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 1.0 110.444 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.588 HD22 HG13 ' A' ' 82' ' ' ILE . 1.4 tt -133.43 117.64 17.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 1.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.4 m -98.43 109.98 22.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 1.0 110.022 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.588 HG13 HD22 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -136.57 179.53 3.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 1.0 109.274 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.4 m -112.99 151.82 30.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 1.0 110.367 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.46 ' O ' ' C ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -61.73 179.67 0.24 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 1.0 109.285 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 84' ' ' LYS . . . 33.3 41.16 0.13 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 1.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -118.51 158.31 25.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 0.737 . . . . 1.0 110.323 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.81 90.07 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 1.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 1.063 HD22 ' HB2' ' A' ' 68' ' ' ALA . 1.3 tt -148.71 126.29 11.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 1.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.586 ' N ' HD23 ' A' ' 88' ' ' LEU . 67.8 mtm180 -135.83 155.41 50.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 1.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.473 ' CG1' ' HB3' ' A' ' 100' ' ' CYS . 2.7 t -68.44 140.9 18.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 1.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.526 HD13 ' NE2' ' A' ' 103' ' ' GLN . 1.5 mt -109.91 -40.96 4.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 1.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.36 175.29 25.0 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.515 1.134 . . . . 1.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.631 ' N ' ' CD1' ' A' ' 93' ' ' TYR . 0.2 OUTLIER -135.18 169.19 17.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 0.771 . . . . 1.0 110.996 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.512 ' OD1' ' O ' ' A' ' 99' ' ' TRP . 0.8 OUTLIER -91.73 62.27 4.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 1.0 109.306 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.427 ' C ' ' O ' ' A' ' 94' ' ' ASN . 10.9 p80 37.51 41.4 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 1.0 109.573 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 177.65 169.15 0.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 1.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -93.59 40.42 2.79 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 1.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.6 -58.74 2.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 0.764 . . . . 1.0 110.317 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.569 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 13.9 m95 -133.67 163.21 29.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 1.0 107.986 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.473 ' HB3' ' CG1' ' A' ' 90' ' ' VAL . 11.8 m -136.14 130.02 32.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 1.0 108.29 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -74.68 123.94 25.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 1.0 110.316 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.406 ' C ' ' OE1' ' A' ' 103' ' ' GLN . . . -112.67 157.9 20.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 1.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.526 ' NE2' HD13 ' A' ' 91' ' ' LEU . 9.9 mp0 -135.08 138.32 43.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 1.0 110.298 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.28 162.93 12.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 1.0 110.416 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -43.89 -62.56 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 1.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 16.0 m-20 -121.03 50.96 1.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 1.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -174.52 162.44 32.62 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.47 1.106 . . . . 1.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.43 ' CG ' ' HG3' ' A' ' 103' ' ' GLN . 0.3 OUTLIER -150.45 151.53 32.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 0.759 . . . . 1.0 110.231 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -179.21 173.59 45.64 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.494 1.121 . . . . 1.0 110.973 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.472 ' C ' ' CG1' ' A' ' 111' ' ' VAL . 5.6 m95 -95.53 152.38 18.48 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.045 -1.094 . . . . 1.0 108.045 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.477 HG23 ' CD1' ' A' ' 116' ' ' ILE . 0.8 OUTLIER -152.46 145.66 17.63 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 1.0 109.254 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.569 ' HD3' ' CZ3' ' A' ' 99' ' ' TRP . 18.4 Cg_endo -74.97 144.92 30.94 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 1.0 111.033 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.416 ' O ' ' O ' ' A' ' 116' ' ' ILE . 0.0 OUTLIER -59.33 -15.59 17.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 1.0 109.993 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.05 -30.56 66.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 1.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.566 ' CD1' ' HG2' ' A' ' 112' ' ' PRO . 3.0 m-85 -76.51 -19.03 58.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 1.0 111.038 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.477 ' CD1' HG23 ' A' ' 111' ' ' VAL . 0.0 OUTLIER -116.77 118.6 59.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 1.0 109.308 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.722 HG23 HD13 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -114.78 150.19 43.62 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 1.0 110.438 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 117' ' ' THR . 18.3 Cg_endo -74.96 165.49 31.23 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.539 1.81 . . . . 1.0 111.027 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.502 ' O ' HG12 ' A' ' 119' ' ' VAL . 59.6 t -91.73 4.76 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 1.0 109.267 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 9.3 m . . . . . 0 C--O 1.25 1.104 0 CA-C-O 116.998 -1.477 . . . . 1.0 109.984 179.961 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.621 ' C ' HD22 ' A' ' 65' ' ' LEU . 47.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.713 ' O ' HG23 ' A' ' 119' ' ' VAL . 3.7 mm? -125.5 167.19 15.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 109.328 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.504 ' N ' ' CD1' ' A' ' 66' ' ' PHE . 3.5 m-85 -117.87 167.21 11.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 1.0 110.979 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.624 ' O ' HG23 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -127.75 147.62 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 1.0 109.309 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.586 ' HB2' HD22 ' A' ' 88' ' ' LEU . . . -70.34 112.28 6.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 1.0 109.333 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.478 ' HB2' ' CG2' ' A' ' 117' ' ' THR . 12.4 tp -90.74 -80.8 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 1.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.437 ' N ' ' HG ' ' A' ' 69' ' ' LEU . 12.9 m-85 -72.84 162.21 29.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 1.0 111.045 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.417 ' O ' ' CE1' ' A' ' 115' ' ' TYR . 2.8 p-10 -90.77 172.21 8.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 1.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.555 ' CE1' HG23 ' A' ' 79' ' ' THR . 14.7 t80 -129.1 157.36 41.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 1.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.509 ' N ' ' CD1' ' A' ' 72' ' ' PHE . 67.5 t -129.74 140.4 49.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 1.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.48 142.41 57.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 1.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.6 p -149.73 -67.41 0.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.113 . . . . 1.0 110.008 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -96.67 -179.98 34.63 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.479 1.112 . . . . 1.0 110.973 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -66.61 -61.38 2.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 0.759 . . . . 1.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -81.4 89.56 6.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 1.0 109.263 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.555 HG23 ' CE1' ' A' ' 72' ' ' PHE . 0.5 OUTLIER -150.03 167.72 25.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 1.0 110.431 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.961 HD21 HG21 ' A' ' 104' ' ' THR . 1.2 tt -135.4 117.31 15.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 1.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.1 m -103.57 110.32 22.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.171 . . . . 1.0 110.002 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.639 ' H ' HD12 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -127.57 -173.54 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 1.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.1 m -107.64 166.38 10.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 1.0 110.332 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -75.98 165.08 25.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.421 1.076 . . . . 1.0 109.274 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 37.65 30.2 0.06 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.486 1.116 . . . . 1.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.498 ' OE2' ' CE ' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -91.59 165.6 13.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 0.776 . . . . 1.0 110.288 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.26 85.92 3.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 1.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.791 HD23 ' C ' ' A' ' 88' ' ' LEU . 1.8 tt -150.37 125.74 10.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 1.0 109.369 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.475 ' N ' HD23 ' A' ' 88' ' ' LEU . 31.4 mtt180 -135.2 144.43 46.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 1.0 110.26 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.463 ' CG1' ' HB3' ' A' ' 100' ' ' CYS . 12.1 t -71.62 127.96 34.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 1.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.456 ' HA ' HD23 ' A' ' 91' ' ' LEU . 3.1 mt -108.23 -30.59 8.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 1.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -131.25 166.37 22.83 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.502 1.126 . . . . 1.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -127.93 178.98 5.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 0.76 . . . . 1.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.516 ' OD1' ' CZ3' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -86.17 -179.5 6.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.162 . . . . 1.0 109.352 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.411 ' H ' HD21 ' A' ' 94' ' ' ASN . 15.3 p-80 -88.15 -42.7 12.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 1.0 109.582 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 57.1 m-20 -94.85 16.31 16.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.579 1.175 . . . . 1.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 50.25 66.32 2.43 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.5 1.125 . . . . 1.0 110.984 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -120.99 -49.01 2.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 1.0 110.331 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.548 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 7.8 m95 -127.87 175.08 8.62 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.986 -1.116 . . . . 1.0 107.986 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.463 ' HB3' ' CG1' ' A' ' 90' ' ' VAL . 18.2 m -136.18 139.42 42.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 1.0 108.305 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -88.56 130.67 35.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 1.0 110.264 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.711 ' HB3' HG11 ' A' ' 111' ' ' VAL . . . -135.16 164.11 28.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 1.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.462 ' CG ' ' HG3' ' A' ' 108' ' ' GLN . 0.0 OUTLIER -120.8 173.8 6.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 1.0 110.283 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.961 HG21 HD21 ' A' ' 80' ' ' LEU . 1.5 p -135.11 155.0 51.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 1.0 110.414 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.498 ' CE ' ' OE2' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -40.17 -35.64 0.42 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 1.0 109.342 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -149.35 68.18 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 1.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' A' ' 104' ' ' THR . . . 157.73 161.02 10.58 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.504 1.127 . . . . 1.0 110.962 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.462 ' HG3' ' CG ' ' A' ' 103' ' ' GLN . 31.6 tt0 -152.25 147.36 26.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 0.748 . . . . 1.0 110.263 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.78 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -177.38 -167.08 35.16 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.489 1.118 . . . . 1.0 111.004 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.516 ' CZ3' ' OD1' ' A' ' 94' ' ' ASN . 37.1 m95 -87.14 150.56 23.89 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.017 -1.105 . . . . 1.0 108.017 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.711 HG11 ' HB3' ' A' ' 102' ' ' ALA . 1.0 OUTLIER -147.59 129.49 7.48 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 1.0 109.289 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.548 ' HD3' ' CZ3' ' A' ' 99' ' ' TRP . 18.3 Cg_endo -74.98 142.04 27.45 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 1.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 116' ' ' ILE . 1.9 t -75.57 -24.0 56.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 1.0 110.037 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -69.6 -8.78 50.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 1.0 109.277 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.417 ' CE1' ' O ' ' A' ' 71' ' ' ASP . 1.0 OUTLIER -108.17 -17.58 13.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 1.0 111.012 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.624 HG23 ' O ' ' A' ' 67' ' ' VAL . 11.8 mt -114.69 147.48 18.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 1.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.478 ' CG2' ' HB2' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -124.25 159.26 57.93 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 1.0 110.41 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.448 ' HA ' ' HA ' ' A' ' 66' ' ' PHE . 18.3 Cg_endo -74.99 173.18 14.95 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.492 1.785 . . . . 1.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 65' ' ' LEU . 97.7 t -77.8 -111.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 1.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.647 ' N ' HG12 ' A' ' 119' ' ' VAL . 83.6 p . . . . . 0 C--O 1.25 1.094 0 CA-C-O 116.966 -1.493 . . . . 1.0 109.958 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . 1.295 ' OG ' HG11 ' A' ' 119' ' ' VAL . 47.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.563 HD22 ' C ' ' A' ' 64' ' ' SER . 3.5 mm? -122.03 -178.19 3.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 109.33 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.494 ' N ' ' CD1' ' A' ' 66' ' ' PHE . 3.9 m-85 -116.9 162.19 18.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 1.0 110.992 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -128.13 142.24 44.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 1.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.686 ' HB2' ' HB3' ' A' ' 88' ' ' LEU . . . -70.44 142.12 52.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 1.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.636 HD12 ' CG2' ' A' ' 117' ' ' THR . 0.5 OUTLIER -98.51 -59.0 1.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 1.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -109.72 167.92 9.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 1.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.468 ' N ' ' OD1' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -86.55 178.12 7.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 1.0 109.286 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.537 ' CG ' ' O ' ' A' ' 80' ' ' LEU . 6.3 t80 -119.12 157.22 28.32 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.46 1.1 . . . . 1.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.7 t -118.31 143.76 28.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 1.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.75 103.99 1.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 1.0 109.344 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.6 t -150.06 124.59 9.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 1.0 109.987 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.87 -157.3 25.14 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.462 1.101 . . . . 1.0 111.019 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.69 -68.71 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.758 . . . . 1.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -76.99 83.25 3.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 1.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.496 HG23 ' CE1' ' A' ' 72' ' ' PHE . 0.3 OUTLIER -136.91 169.89 17.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 1.0 110.378 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.783 HD22 HD12 ' A' ' 82' ' ' ILE . 1.2 tt -135.01 117.8 16.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 1.0 109.332 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.8 m -95.03 107.43 19.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 1.0 109.996 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.783 HD12 HD22 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -120.74 169.91 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 1.0 109.334 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.4 m -114.59 161.51 17.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 1.0 110.371 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.555 ' O ' ' C ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -60.57 179.56 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 1.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.555 ' C ' ' O ' ' A' ' 84' ' ' LYS . . . 22.47 58.54 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.455 1.097 . . . . 1.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -125.65 152.59 45.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 1.0 110.282 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.402 ' HG3' ' NH2' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -69.32 81.48 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 1.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.686 ' HB3' ' HB2' ' A' ' 68' ' ' ALA . 1.8 tt -122.03 117.64 26.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 1.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.402 ' NH2' ' HG3' ' A' ' 87' ' ' LYS . 4.4 mtt85 -133.77 140.08 46.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 1.0 110.323 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.899 HG11 ' CE2' ' A' ' 93' ' ' TYR . 54.0 t -69.28 123.72 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 1.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.6 mt -105.06 -29.81 10.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 1.0 109.337 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -129.86 157.23 21.79 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.484 1.115 . . . . 1.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.899 ' CE2' HG11 ' A' ' 90' ' ' VAL . 1.1 m-85 -142.03 147.41 36.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.766 . . . . 1.0 111.021 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.574 ' ND2' ' O ' ' A' ' 99' ' ' TRP . 7.4 p30 -71.16 -151.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 1.0 109.273 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.465 ' N ' ' OD1' ' A' ' 94' ' ' ASN . 18.6 t-160 -121.71 -47.52 2.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 1.0 109.629 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.581 ' O ' ' C ' ' A' ' 97' ' ' GLY . 37.6 m-80 -84.72 45.2 1.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 1.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.581 ' C ' ' O ' ' A' ' 96' ' ' ASN . . . 19.55 56.64 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.501 1.125 . . . . 1.0 111.047 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 96' ' ' ASN . 0.6 OUTLIER -105.84 -59.61 1.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 0.782 . . . . 1.0 110.297 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.574 ' O ' ' ND2' ' A' ' 94' ' ' ASN . 13.5 m95 -136.79 154.03 50.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 1.0 108.007 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.566 ' HB3' ' CD1' ' A' ' 93' ' ' TYR . 0.9 OUTLIER -122.13 140.24 52.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 1.0 108.247 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -83.66 136.97 34.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 1.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -132.47 160.61 35.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 1.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -123.34 150.31 43.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 1.0 110.286 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.611 ' OG1' HD21 ' A' ' 80' ' ' LEU . 3.1 m -104.65 160.65 14.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 1.0 110.379 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 104' ' ' THR . 5.2 tptp -39.34 -53.61 1.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 1.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -133.97 55.03 1.92 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 1.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 178.87 -176.27 47.87 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.521 1.138 . . . . 1.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -150.39 179.32 8.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 0.781 . . . . 1.0 110.344 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 155.48 -179.99 31.03 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.541 1.151 . . . . 1.0 110.986 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -95.49 159.59 14.92 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.004 -1.11 . . . . 1.0 108.004 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.411 ' O ' ' O ' ' A' ' 100' ' ' CYS . 4.9 p -158.47 129.94 3.91 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 1.0 109.328 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.543 ' HG3' ' CH2' ' A' ' 99' ' ' TRP . 18.4 Cg_endo -74.93 144.61 30.71 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 1.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 116' ' ' ILE . 0.3 OUTLIER -73.86 -10.8 60.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 1.0 110.025 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -71.12 -28.09 64.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 1.0 109.257 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -102.93 2.24 34.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 1.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.467 HD13 ' HA ' ' A' ' 68' ' ' ALA . 7.7 mm -126.7 147.72 31.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 1.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.636 ' CG2' HD12 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -130.59 156.62 79.46 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 1.0 110.391 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.405 ' HA ' ' CD2' ' A' ' 66' ' ' PHE . 18.4 Cg_endo -74.95 -179.37 4.91 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.502 1.791 . . . . 1.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 1.295 HG11 ' OG ' ' A' ' 64' ' ' SER . 1.8 p -69.05 -103.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 1.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.757 ' N ' HG22 ' A' ' 119' ' ' VAL . 11.9 p . . . . . 0 C--O 1.25 1.097 0 CA-C-O 117.03 -1.462 . . . . 1.0 110.024 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.708 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 47.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.427 ' C ' HD13 ' A' ' 65' ' ' LEU . 0.9 OUTLIER -128.2 80.81 1.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 109.321 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.708 ' CE2' ' HB3' ' A' ' 64' ' ' SER . 0.4 OUTLIER -115.6 153.72 30.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 1.0 111.005 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.506 ' CG1' HG22 ' A' ' 119' ' ' VAL . 0.8 OUTLIER -104.62 153.29 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 1.0 109.356 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.772 ' HB2' ' HB3' ' A' ' 88' ' ' LEU . . . -68.89 125.39 26.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 1.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.557 HD12 ' HB ' ' A' ' 117' ' ' THR . 0.2 OUTLIER -77.8 -77.66 0.15 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 1.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.402 ' CE1' HD22 ' A' ' 69' ' ' LEU . 4.8 m-85 -105.1 178.27 4.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 1.0 110.997 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.536 ' N ' ' OD1' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -77.93 176.22 9.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 1.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.443 ' HE2' HG23 ' A' ' 79' ' ' THR . 27.9 t80 -124.18 167.04 14.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 1.0 111.029 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 13.1 p -125.38 154.93 34.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 1.0 109.348 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.68 145.63 50.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 1.0 109.316 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.557 ' N ' HG21 ' A' ' 79' ' ' THR . 0.2 OUTLIER -150.24 162.96 39.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 1.0 109.999 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.408 ' O ' ' CG ' ' A' ' 77' ' ' ASP . . . -107.61 56.25 0.49 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.499 1.125 . . . . 1.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 78' ' ' ASN . 4.5 m-20 -166.86 85.47 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 0.75 . . . . 1.0 109.335 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 77' ' ' ASP . 7.6 m120 38.99 68.29 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 1.0 109.334 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.557 HG21 ' N ' ' A' ' 75' ' ' SER . 0.4 OUTLIER -134.0 160.12 38.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 1.0 110.4 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.943 HD13 ' O ' ' A' ' 108' ' ' GLN . 2.4 tt -136.36 121.2 18.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 1.0 109.338 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.1 m -67.76 110.81 3.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 1.0 110.012 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.499 ' CD1' HD12 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -119.81 152.62 22.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 1.0 109.342 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.3 m -111.12 160.61 16.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.09 . . . . 1.0 110.405 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.47 ' O ' ' C ' ' A' ' 85' ' ' GLY . 4.4 pttt -62.25 -176.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 1.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 84' ' ' LYS . . . 32.18 38.47 0.05 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.461 1.101 . . . . 1.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 84' ' ' LYS . 5.1 tp10 -116.27 155.99 27.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 0.753 . . . . 1.0 110.33 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.7 mttp -72.8 89.66 1.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 1.0 109.328 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.772 ' HB3' ' HB2' ' A' ' 68' ' ' ALA . 2.9 tt -129.44 113.14 14.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 1.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.419 ' N ' HD23 ' A' ' 88' ' ' LEU . 4.2 mtp85 -136.0 139.23 43.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 1.0 110.285 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.578 ' HB ' ' CD2' ' A' ' 66' ' ' PHE . 92.9 t -71.33 111.05 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 1.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.691 HD13 ' CD ' ' A' ' 103' ' ' GLN . 0.8 OUTLIER -113.7 -7.84 13.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 1.0 109.29 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -153.48 168.29 32.09 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.469 1.106 . . . . 1.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.528 ' HH ' ' HE2' ' A' ' 66' ' ' PHE . 28.5 m-85 -131.5 176.99 7.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 0.755 . . . . 1.0 110.944 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -78.08 165.6 23.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 1.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -91.21 41.73 1.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 1.0 109.616 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.452 ' ND2' ' HB3' ' A' ' 98' ' ' GLU . 1.7 p-10 -168.8 -53.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 1.0 109.334 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.42 ' H ' ' ND2' ' A' ' 96' ' ' ASN . . . 124.99 55.95 0.17 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.519 1.137 . . . . 1.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.504 ' CG ' ' N ' ' A' ' 99' ' ' TRP . 12.6 pt-20 -120.04 -47.83 2.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.756 . . . . 1.0 110.282 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.564 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 8.0 m95 -133.02 174.54 10.25 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.996 -1.113 . . . . 1.0 107.996 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 35.6 m -135.5 132.71 37.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 1.0 108.295 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -85.01 151.18 24.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.079 . . . . 1.0 110.325 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -135.22 171.48 14.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 1.0 109.334 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.691 ' CD ' HD13 ' A' ' 91' ' ' LEU . 51.2 mt-30 -105.08 135.55 46.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 1.0 110.27 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.52 ' O ' ' C ' ' A' ' 105' ' ' LYS . 1.2 p -104.2 176.69 5.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 1.0 110.382 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.52 ' C ' ' O ' ' A' ' 104' ' ' THR . 0.0 OUTLIER -30.81 -54.22 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 1.0 109.277 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 21.4 m-20 -150.16 58.71 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 1.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 178.97 -136.54 2.9 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.514 1.133 . . . . 1.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.943 ' O ' HD13 ' A' ' 80' ' ' LEU . 4.5 mt-30 -133.26 -168.85 2.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 0.787 . . . . 1.0 110.272 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.438 ' HA2' ' HB3' ' A' ' 80' ' ' LEU . . . -176.56 128.79 1.39 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.468 1.105 . . . . 1.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 37.5 m95 -92.81 129.43 38.74 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.959 -1.126 . . . . 1.0 107.959 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.58 HG23 ' HD2' ' A' ' 112' ' ' PRO . 6.8 p -160.78 141.71 8.73 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 1.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.58 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.4 Cg_endo -74.94 148.31 35.41 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.455 1.766 . . . . 1.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.15 -12.25 49.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 1.0 110.025 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.35 -39.99 77.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 1.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -95.7 13.69 25.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 1.0 111.024 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.514 HD13 ' HA ' ' A' ' 68' ' ' ALA . 10.8 mm -126.71 154.28 36.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 1.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.557 ' HB ' HD12 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -133.54 138.95 32.36 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 1.0 110.425 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.455 ' HA ' ' CB ' ' A' ' 66' ' ' PHE . 18.4 Cg_endo -75.05 175.23 11.52 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.519 1.8 . . . . 1.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.552 ' O ' HG12 ' A' ' 119' ' ' VAL . 83.4 t -113.92 4.55 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 1.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 10.5 t . . . . . 0 C--O 1.25 1.104 0 CA-C-O 117.032 -1.461 . . . . 1.0 109.998 -179.98 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . 1.007 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 47.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.729 ' O ' HG23 ' A' ' 119' ' ' VAL . 4.3 mm? -110.64 64.47 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 109.343 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 1.007 ' CE2' ' HB3' ' A' ' 64' ' ' SER . 0.8 OUTLIER -108.19 158.66 17.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 1.0 111.006 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.613 ' O ' HG23 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -126.25 156.44 36.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 1.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.989 ' HB2' ' CD2' ' A' ' 88' ' ' LEU . . . -79.3 88.67 4.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 1.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 1.06 HD13 HG23 ' A' ' 117' ' ' THR . 0.3 OUTLIER -69.89 -44.98 68.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 1.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -103.7 165.5 11.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 1.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.53 156.24 20.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 1.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.755 ' CE1' ' HB2' ' A' ' 74' ' ' ALA . 12.1 t80 -138.15 117.92 13.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 1.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.415 ' O ' HG13 ' A' ' 73' ' ' VAL . 9.7 p -135.12 58.59 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 1.0 109.244 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.755 ' HB2' ' CE1' ' A' ' 72' ' ' PHE . . . -75.17 163.98 26.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 1.0 109.256 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.12 93.31 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 1.0 109.999 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -169.77 -131.81 1.37 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.505 1.128 . . . . 1.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -64.14 -167.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 0.755 . . . . 1.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -43.06 101.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 1.0 109.317 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.574 HG21 ' HB3' ' A' ' 74' ' ' ALA . 0.6 OUTLIER -147.49 158.1 43.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 1.0 110.423 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.924 HD22 ' CD1' ' A' ' 82' ' ' ILE . 1.7 tt -135.85 117.45 14.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 1.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 48.9 m -81.22 112.91 18.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 1.0 110.041 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.924 ' CD1' HD22 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -107.72 168.55 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 1.0 109.272 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.2 m -115.75 156.73 25.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 1.0 110.417 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 86' ' ' GLU . 1.0 OUTLIER -65.36 -177.81 0.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 1.0 109.355 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.417 ' N ' ' HE2' ' A' ' 84' ' ' LYS . . . 37.58 29.83 0.05 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.502 1.126 . . . . 1.0 110.957 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 84' ' ' LYS . 0.7 OUTLIER -109.65 159.79 16.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 0.779 . . . . 1.0 110.296 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.486 ' H ' ' CD ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -90.11 78.19 6.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 1.0 109.318 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.989 ' CD2' ' HB2' ' A' ' 68' ' ' ALA . 0.1 OUTLIER -127.13 126.13 42.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 1.0 109.29 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.462 ' CB ' ' O ' ' A' ' 66' ' ' PHE . 7.2 mtt180 -132.02 153.54 50.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 1.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.469 ' CG2' ' HB2' ' A' ' 100' ' ' CYS . 5.0 t -69.52 156.66 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 1.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.485 HD12 ' HG2' ' A' ' 103' ' ' GLN . 3.7 mt -118.0 -53.06 2.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 1.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -139.31 -173.91 13.31 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.551 1.157 . . . . 1.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -137.6 152.48 49.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 1.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.443 ' OD1' ' O ' ' A' ' 99' ' ' TRP . 0.4 OUTLIER -75.67 57.14 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 1.0 109.318 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.496 ' CG ' ' O ' ' A' ' 95' ' ' HIS . 77.0 t60 37.97 44.41 0.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 1.0 109.58 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 176.74 166.83 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 1.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -91.74 61.33 2.74 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.437 1.086 . . . . 1.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.32 -63.04 1.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 1.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.531 ' CZ2' ' HB3' ' A' ' 112' ' ' PRO . 13.2 m95 -133.32 159.36 40.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 1.0 108.025 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.469 ' HB2' ' CG2' ' A' ' 90' ' ' VAL . 2.2 m -136.92 127.09 26.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 1.0 108.326 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.474 ' HG3' ' CD1' ' A' ' 110' ' ' TRP . 11.5 tt0 -70.44 131.52 44.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 1.0 110.31 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.551 ' HB3' ' CG1' ' A' ' 111' ' ' VAL . . . -135.2 159.3 41.96 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.506 1.129 . . . . 1.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.602 ' O ' HD12 ' A' ' 88' ' ' LEU . 1.8 pt20 -107.68 177.01 4.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 1.0 110.319 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.425 ' OG1' HD12 ' A' ' 82' ' ' ILE . 1.8 m -135.0 157.36 47.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 1.0 110.401 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 104' ' ' THR . 1.9 pttp -39.84 -56.07 1.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 1.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.95 55.77 1.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 1.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 104' ' ' THR . . . 176.17 168.86 36.95 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.465 1.103 . . . . 1.0 110.982 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.888 ' C ' HD12 ' A' ' 80' ' ' LEU . 2.7 mt-30 -151.14 147.81 27.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 0.744 . . . . 1.0 110.337 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 178.41 -164.19 32.66 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.121 . . . . 1.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.474 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 7.5 m95 -99.47 145.79 27.06 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.005 -1.109 . . . . 1.0 108.005 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.594 ' CG2' ' CD1' ' A' ' 116' ' ' ILE . 1.9 m -137.58 136.16 19.97 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 1.0 109.246 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.575 ' HD3' ' CZ ' ' A' ' 72' ' ' PHE . 18.2 Cg_endo -74.98 140.75 25.89 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.511 1.795 . . . . 1.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.461 ' O ' ' O ' ' A' ' 116' ' ' ILE . 0.1 OUTLIER -76.09 -12.91 60.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 1.0 109.98 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.542 ' OD1' ' CD1' ' A' ' 115' ' ' TYR . 30.3 p30 -73.04 -15.28 61.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 1.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.542 ' CD1' ' OD1' ' A' ' 114' ' ' ASN . 3.1 m-30 -111.19 -6.04 14.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 1.0 111.054 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.613 HG23 ' O ' ' A' ' 67' ' ' VAL . 9.2 mt -129.69 144.9 36.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 1.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' THR . . . . . 1.06 HG23 HD13 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -131.45 158.86 74.12 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 1.0 110.458 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.539 ' HB3' ' CD1' ' A' ' 66' ' ' PHE . 18.3 Cg_endo -75.01 170.31 20.69 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.504 1.792 . . . . 1.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 65' ' ' LEU . 97.5 t -86.21 4.58 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 1.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 34.3 t . . . . . 0 C--O 1.249 1.064 0 CA-C-O 116.972 -1.49 . . . . 1.0 110.03 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.588 ' O ' HG23 ' A' ' 119' ' ' VAL . 3.6 mm? -95.26 169.25 10.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.567 ' CD1' ' HB ' ' A' ' 90' ' ' VAL . 0.6 OUTLIER -122.35 157.67 31.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 1.0 111.014 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.409 ' N ' ' O ' ' A' ' 117' ' ' THR . 0.0 OUTLIER -116.55 142.12 31.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 1.0 109.298 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 1.006 ' HB2' HD22 ' A' ' 88' ' ' LEU . . . -70.09 137.97 51.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 1.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.587 HD12 ' CG2' ' A' ' 117' ' ' THR . 0.5 OUTLIER -95.79 -65.3 0.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 1.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -107.16 176.86 5.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 1.0 111.019 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -99.93 172.47 7.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 1.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.634 ' CE1' HG21 ' A' ' 79' ' ' THR . 17.5 t80 -111.67 159.47 18.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 1.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.546 ' N ' ' CD1' ' A' ' 72' ' ' PHE . 11.7 p -115.75 114.85 47.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 1.0 109.307 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -45.05 124.6 4.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 1.0 109.259 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.0 p -150.0 -65.79 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 1.0 109.992 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -82.21 -176.19 51.1 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.516 1.135 . . . . 1.0 111.033 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -100.54 -56.42 2.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 1.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -62.93 -13.78 38.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 1.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.634 HG21 ' CE1' ' A' ' 72' ' ' PHE . 0.3 OUTLIER -69.87 171.86 8.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 1.0 110.383 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.515 ' N ' HG23 ' A' ' 79' ' ' THR . 1.2 tt -135.54 117.84 15.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 1.0 109.277 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.4 m -89.52 110.34 21.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 1.0 109.976 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.76 HG22 ' OE2' ' A' ' 86' ' ' GLU . 0.1 OUTLIER -115.9 176.58 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 1.0 109.323 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.5 m -119.75 153.25 35.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 1.0 110.37 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -62.71 -178.17 0.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 1.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 84' ' ' LYS . . . 36.14 32.73 0.05 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.473 1.108 . . . . 1.0 111.037 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.76 ' OE2' HG22 ' A' ' 82' ' ' ILE . 15.9 tt0 -105.59 166.78 10.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 0.798 . . . . 1.0 110.342 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.4 pttp -90.79 68.31 6.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 1.0 109.265 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 1.006 HD22 ' HB2' ' A' ' 68' ' ' ALA . 1.0 OUTLIER -111.42 123.63 50.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 1.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 -135.09 144.86 47.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 1.0 110.289 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.586 HG21 ' SG ' ' A' ' 100' ' ' CYS . 2.9 t -75.13 116.23 17.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 1.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.4 mt -115.32 7.98 15.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 1.0 109.332 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -146.58 151.1 23.41 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.483 1.114 . . . . 1.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -142.99 144.51 32.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 0.748 . . . . 1.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.544 ' OD1' ' CG ' ' A' ' 95' ' ' HIS . 0.3 OUTLIER -85.15 175.01 9.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.422 1.076 . . . . 1.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.544 ' CG ' ' OD1' ' A' ' 94' ' ' ASN . 4.6 p-80 -38.74 -73.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 1.0 109.6 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.45 ' H ' ' CD2' ' A' ' 95' ' ' HIS . 0.7 OUTLIER -80.8 -173.26 4.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 1.0 109.289 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -105.42 68.14 0.25 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.47 1.107 . . . . 1.0 111.03 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.34 -52.13 2.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 0.774 . . . . 1.0 110.316 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.48 ' CH2' ' HG3' ' A' ' 112' ' ' PRO . 22.7 m95 -125.78 153.51 43.91 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.985 -1.117 . . . . 1.0 107.985 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.586 ' SG ' HG21 ' A' ' 90' ' ' VAL . 0.8 OUTLIER -135.73 139.4 43.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 1.0 108.248 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -77.68 132.06 38.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 1.0 110.312 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.433 ' HB2' HG11 ' A' ' 111' ' ' VAL . . . -127.9 159.61 34.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 1.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -121.95 157.15 31.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 1.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.461 HG22 ' H ' ' A' ' 106' ' ' ASN . 77.0 m -135.49 145.49 47.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 1.0 110.427 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.04 -16.54 19.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 1.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.461 ' H ' HG22 ' A' ' 104' ' ' THR . 3.0 t-20 -91.8 -39.37 11.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 1.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 104' ' ' THR . . . -169.9 -144.89 4.46 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.552 1.158 . . . . 1.0 110.983 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.413 ' C ' HD12 ' A' ' 80' ' ' LEU . 1.9 tt0 -150.34 163.76 37.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 0.743 . . . . 1.0 110.293 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.454 ' N ' HD12 ' A' ' 80' ' ' LEU . . . 172.91 -169.23 42.38 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.534 1.146 . . . . 1.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 30.9 m95 -93.21 150.49 20.46 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.993 -1.114 . . . . 1.0 107.993 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.433 HG11 ' HB2' ' A' ' 102' ' ' ALA . 0.9 OUTLIER -147.57 126.91 6.42 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 1.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.48 ' HG3' ' CH2' ' A' ' 99' ' ' TRP . 18.4 Cg_endo -75.0 140.05 24.99 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.453 1.765 . . . . 1.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 116' ' ' ILE . 39.1 t -72.91 -5.09 36.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 1.0 110.014 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -71.23 -34.12 70.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 1.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -97.23 9.44 42.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 1.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.427 HD11 ' CG2' ' A' ' 111' ' ' VAL . 8.6 mt -135.29 157.01 39.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 1.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.587 ' CG2' HD12 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -134.0 154.06 80.07 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 1.0 110.388 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.417 ' HA ' ' HA ' ' A' ' 66' ' ' PHE . 18.5 Cg_endo -74.95 179.46 6.04 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.461 1.769 . . . . 1.0 111.03 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.681 HG12 ' N ' ' A' ' 120' ' ' SER . 83.5 t -101.24 -107.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 1.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.681 ' N ' HG12 ' A' ' 119' ' ' VAL . 30.3 m . . . . . 0 C--O 1.25 1.1 0 CA-C-O 116.999 -1.477 . . . . 1.0 109.985 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.928 ' O ' HG23 ' A' ' 119' ' ' VAL . 4.1 mm? -83.05 170.63 14.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.565 ' CD1' ' HB3' ' A' ' 118' ' ' PRO . 1.2 m-85 -122.47 158.28 30.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 1.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -115.83 141.18 34.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 1.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 1.009 ' HB2' HD22 ' A' ' 88' ' ' LEU . . . -69.93 132.35 45.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 1.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.651 ' CD1' HG21 ' A' ' 117' ' ' THR . 1.1 mt -95.35 -77.04 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 1.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -86.26 148.24 25.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 1.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.1 p30 -72.43 -177.29 2.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.153 . . . . 1.0 109.334 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.499 ' CE1' HG23 ' A' ' 79' ' ' THR . 3.8 t80 -129.82 141.91 50.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 1.0 111.007 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.8 p -118.66 122.95 70.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 1.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.04 139.39 17.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 1.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.4 m -148.6 -66.64 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 1.0 109.962 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -111.51 172.79 15.21 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 1.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 78' ' ' ASN . 42.0 m-20 -58.76 173.3 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 1.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 77' ' ' ASP . 1.2 t-20 39.17 82.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 1.0 109.31 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.499 HG23 ' CE1' ' A' ' 72' ' ' PHE . 0.3 OUTLIER -149.28 169.72 20.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 1.0 110.434 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.616 HD12 ' N ' ' A' ' 109' ' ' GLY . 1.3 tt -135.39 117.76 15.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 1.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.0 m -99.26 111.79 24.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 1.0 109.997 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.562 ' CG1' HD22 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -128.89 -176.67 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 1.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.434 HG22 ' H ' ' A' ' 84' ' ' LYS . 16.1 m -108.43 171.68 7.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 1.0 110.43 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -75.88 165.05 25.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 1.0 109.327 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 37.49 31.02 0.06 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.497 1.123 . . . . 1.0 110.983 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 84' ' ' LYS . 4.4 tp10 -91.03 148.64 22.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 1.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -69.86 91.52 0.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 1.0 109.265 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 1.009 HD22 ' HB2' ' A' ' 68' ' ' ALA . 0.5 OUTLIER -145.6 130.04 17.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 1.0 109.285 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.6 mtp180 -135.13 149.96 50.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 1.0 110.322 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.473 ' CG1' ' HB3' ' A' ' 100' ' ' CYS . 5.1 t -69.78 134.82 29.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 1.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.2 mt -108.72 -36.7 6.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 1.0 109.334 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -132.06 172.85 20.9 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.495 1.122 . . . . 1.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.466 ' HH ' ' HE2' ' A' ' 66' ' ' PHE . 28.1 m-85 -131.25 171.97 12.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 0.757 . . . . 1.0 111.037 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.554 HD21 ' CE1' ' A' ' 95' ' ' HIS . 0.2 OUTLIER -80.91 137.27 36.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.108 . . . . 1.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.554 ' CE1' HD21 ' A' ' 94' ' ' ASN . 0.0 OUTLIER -36.84 -69.33 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 1.0 109.565 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -59.73 -59.81 4.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 1.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 131.71 68.8 0.09 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.48 1.112 . . . . 1.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.564 ' HG3' ' CD1' ' A' ' 99' ' ' TRP . 1.2 tp10 -120.48 -58.5 1.84 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 0.763 . . . . 1.0 110.29 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.564 ' CD1' ' HG3' ' A' ' 98' ' ' GLU . 14.3 m0 -120.46 179.25 4.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 1.0 107.983 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.473 ' HB3' ' CG1' ' A' ' 90' ' ' VAL . 69.5 m -136.59 139.69 42.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 1.0 108.3 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -86.96 133.12 33.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 1.0 110.284 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.434 ' O ' ' CD1' ' A' ' 80' ' ' LEU . . . -135.69 158.85 43.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 1.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.443 ' HB3' ' CG ' ' A' ' 108' ' ' GLN . 2.9 pt20 -125.92 167.19 15.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 1.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.612 ' CG2' HD21 ' A' ' 80' ' ' LEU . 6.5 p -131.74 173.49 11.1 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.556 1.16 . . . . 1.0 110.4 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.49 ' C ' ' O ' ' A' ' 104' ' ' THR . 0.2 OUTLIER -32.9 -69.43 0.09 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 1.0 109.251 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -131.68 53.81 1.97 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 1.0 109.316 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.483 ' O ' ' N ' ' A' ' 104' ' ' THR . . . -169.08 128.53 1.7 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.532 1.145 . . . . 1.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.443 ' CG ' ' HB3' ' A' ' 103' ' ' GLN . 9.4 mp0 -122.12 157.68 30.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 0.769 . . . . 1.0 110.256 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.616 ' N ' HD12 ' A' ' 80' ' ' LEU . . . 169.24 -173.54 43.65 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.546 1.154 . . . . 1.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.508 ' CH2' ' OD1' ' A' ' 94' ' ' ASN . 28.7 m95 -87.96 160.99 17.67 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.009 -1.108 . . . . 1.0 108.009 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.42 HG21 HD11 ' A' ' 116' ' ' ILE . 3.6 p -159.83 131.49 4.06 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 1.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.527 ' HB3' ' CE2' ' A' ' 99' ' ' TRP . 18.3 Cg_endo -74.99 145.4 31.44 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.45 1.763 . . . . 1.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.16 -21.57 58.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 1.0 110.012 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.431 ' ND2' ' HB2' ' A' ' 112' ' ' PRO . 1.8 p30 -69.7 -12.94 62.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 1.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -104.87 -13.32 15.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 1.0 111.036 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.42 HD11 HG21 ' A' ' 111' ' ' VAL . 62.4 mt -117.07 149.98 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 1.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.651 HG21 ' CD1' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -128.9 147.22 63.76 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 1.0 110.398 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.565 ' HB3' ' CD1' ' A' ' 66' ' ' PHE . 18.3 Cg_endo -74.98 175.23 11.5 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.536 1.809 . . . . 1.0 110.994 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.928 HG23 ' O ' ' A' ' 65' ' ' LEU . 93.1 t -81.15 -111.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 1.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.646 ' N ' HG12 ' A' ' 119' ' ' VAL . 15.2 p . . . . . 0 C--O 1.25 1.094 0 CA-C-O 117.008 -1.472 . . . . 1.0 110.015 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.508 ' C ' HD22 ' A' ' 65' ' ' LEU . 47.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.599 ' O ' HG23 ' A' ' 119' ' ' VAL . 3.3 mm? -120.12 -175.02 2.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.501 ' HA ' HG23 ' A' ' 119' ' ' VAL . 7.1 m-85 -112.04 163.4 14.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 1.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.591 HG22 HG22 ' A' ' 119' ' ' VAL . 0.0 OUTLIER -121.79 147.8 25.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 1.0 109.319 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.974 ' HB2' HD22 ' A' ' 88' ' ' LEU . . . -71.09 123.98 23.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 1.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.663 HD12 HG22 ' A' ' 117' ' ' THR . 0.3 OUTLIER -80.46 -78.39 0.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 1.0 109.288 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -102.46 169.42 8.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 1.0 110.99 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.498 ' CG ' ' N ' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -86.09 169.41 13.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 1.0 109.345 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.608 ' CZ ' ' O ' ' A' ' 73' ' ' VAL . 0.3 OUTLIER -104.23 146.77 28.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 1.0 111.006 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.608 ' O ' ' CZ ' ' A' ' 72' ' ' PHE . 74.6 t -101.06 153.82 4.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 1.0 109.349 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -44.35 128.31 6.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 1.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 26.8 m -150.11 -174.74 4.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 1.0 109.997 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -148.56 170.78 29.02 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.532 1.145 . . . . 1.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 78' ' ' ASN . 23.7 m-20 57.87 107.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 0.784 . . . . 1.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 77' ' ' ASP . 4.4 p30 39.48 81.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 1.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.452 HG23 ' N ' ' A' ' 80' ' ' LEU . 0.3 OUTLIER -138.01 167.62 21.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 1.0 110.38 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.802 HD22 HG12 ' A' ' 82' ' ' ILE . 1.8 tt -135.9 118.32 15.77 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.479 1.112 . . . . 1.0 109.262 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.569 ' HA ' ' CD1' ' A' ' 72' ' ' PHE . 50.8 m -90.99 108.07 19.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 1.0 110.01 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.973 HD13 HD13 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -133.41 162.54 39.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 1.0 109.279 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.436 HG22 ' H ' ' A' ' 84' ' ' LYS . 6.1 m -105.58 172.86 6.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 1.0 110.409 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -75.39 163.43 27.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 1.0 109.301 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 37.55 30.9 0.06 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.517 1.136 . . . . 1.0 111.02 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 84' ' ' LYS . 1.9 tt0 -88.08 150.51 23.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 0.766 . . . . 1.0 110.295 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -76.3 83.99 3.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 1.0 109.327 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.974 HD22 ' HB2' ' A' ' 68' ' ' ALA . 1.2 tt -131.54 133.63 45.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 1.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' A' ' 66' ' ' PHE . 20.2 mmm-85 -135.01 139.93 45.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 1.0 110.286 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.477 HG11 ' CB ' ' A' ' 100' ' ' CYS . 3.2 t -77.33 118.04 23.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 1.0 109.341 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.3 mt -112.82 -6.31 13.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 1.0 109.28 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -125.87 145.8 15.9 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.471 1.107 . . . . 1.0 110.958 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -123.83 156.0 36.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 0.79 . . . . 1.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.549 ' ND2' ' C ' ' A' ' 94' ' ' ASN . 0.0 OUTLIER -105.89 171.49 7.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 1.0 109.273 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -135.25 20.56 3.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 1.0 109.595 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -101.93 -54.95 2.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 1.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -142.87 -119.51 1.44 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.467 1.104 . . . . 1.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -121.95 68.03 0.92 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 0.759 . . . . 1.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.524 ' CH2' ' HG3' ' A' ' 112' ' ' PRO . 41.9 m95 -136.27 148.3 47.94 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.013 -1.106 . . . . 1.0 108.013 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.477 ' CB ' HG11 ' A' ' 90' ' ' VAL . 2.3 m -135.78 136.54 40.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 1.0 108.271 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -71.66 132.94 45.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 1.0 110.277 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.562 ' HB3' HD13 ' A' ' 80' ' ' LEU . . . -120.74 155.07 34.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 1.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -125.17 131.09 53.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 1.0 110.291 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.895 HG22 ' H ' ' A' ' 106' ' ' ASN . 7.6 m -106.26 139.84 40.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.078 . . . . 1.0 110.414 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -15.44 9.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 1.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.895 ' H ' HG22 ' A' ' 104' ' ' THR . 0.0 OUTLIER -96.3 -39.44 9.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 1.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.488 ' O ' ' O ' ' A' ' 104' ' ' THR . . . -160.8 -139.59 2.69 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.485 1.115 . . . . 1.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.403 ' C ' ' HG ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -150.86 174.15 13.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 0.75 . . . . 1.0 110.268 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.727 ' C ' HD12 ' A' ' 80' ' ' LEU . . . 167.4 -167.68 40.06 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.458 1.099 . . . . 1.0 111.028 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 15.8 m95 -107.67 153.76 22.45 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.985 -1.117 . . . . 1.0 107.985 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.442 HG12 ' O ' ' A' ' 100' ' ' CYS . 1.1 p -146.56 126.13 6.68 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 1.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.524 ' HG3' ' CH2' ' A' ' 99' ' ' TRP . 18.1 Cg_endo -75.04 151.42 39.31 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.486 1.782 . . . . 1.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.467 ' O ' ' O ' ' A' ' 116' ' ' ILE . 0.1 OUTLIER -72.56 -17.76 61.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 1.0 109.959 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.53 ' OD1' ' CD1' ' A' ' 115' ' ' TYR . 25.2 p30 -71.56 -16.91 62.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 1.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.737 ' O ' HD13 ' A' ' 116' ' ' ILE . 6.2 m-30 -114.16 -4.8 13.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 1.0 111.029 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.737 HD13 ' O ' ' A' ' 115' ' ' TYR . 8.6 mm -131.5 142.36 43.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 1.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.663 HG22 HD12 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -123.93 156.19 66.05 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 1.0 110.403 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.471 ' HB3' ' CD2' ' A' ' 66' ' ' PHE . 18.3 Cg_endo -74.99 178.78 6.81 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.56 1.821 . . . . 1.0 110.976 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 65' ' ' LEU . 66.9 t -109.17 4.72 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 1.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 88.7 p . . . . . 0 C--O 1.25 1.08 0 CA-C-O 116.984 -1.484 . . . . 1.0 110.006 -180.0 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -103.87 136.48 43.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 109.306 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.412 ' CD1' ' N ' ' A' ' 66' ' ' PHE . 16.4 m-85 -129.64 164.76 23.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 1.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -129.96 158.41 42.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 1.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.825 ' HB2' ' HB3' ' A' ' 88' ' ' LEU . . . -69.58 131.22 44.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 1.0 109.276 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.504 ' HG ' ' CG2' ' A' ' 117' ' ' THR . 0.3 OUTLIER -76.44 -72.44 0.33 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 1.0 109.324 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.464 ' CE2' HD22 ' A' ' 69' ' ' LEU . 53.7 m-85 -117.05 -179.28 3.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 1.0 111.052 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.68 161.35 29.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 1.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.983 ' CZ ' ' HB2' ' A' ' 74' ' ' ALA . 85.1 t80 -121.27 128.57 52.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 1.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.2 t -135.36 78.53 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 1.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.983 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . . . -75.55 -171.02 1.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 1.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.7 p -150.53 -46.51 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 1.0 110.004 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -64.63 176.39 10.96 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.532 1.145 . . . . 1.0 111.023 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.402 ' C ' ' CG ' ' A' ' 78' ' ' ASN . 0.6 OUTLIER -68.07 -176.23 0.68 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 0.742 . . . . 1.0 109.311 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.402 ' CG ' ' C ' ' A' ' 77' ' ' ASP . 1.0 OUTLIER 40.52 72.27 0.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 1.0 109.277 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.71 HG21 ' HB3' ' A' ' 74' ' ' ALA . 0.3 OUTLIER -148.42 156.9 43.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 1.0 110.388 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.85 HD12 ' C ' ' A' ' 108' ' ' GLN . 2.1 tt -133.7 115.58 14.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 1.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.0 m -78.18 109.51 12.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 1.0 110.05 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.789 HD12 ' HB3' ' A' ' 72' ' ' PHE . 0.4 OUTLIER -127.21 154.39 37.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 1.0 109.241 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.6 m -104.95 157.31 17.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 1.0 110.411 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.07 174.95 2.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 1.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 49.36 21.34 2.88 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.482 1.114 . . . . 1.0 110.971 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -110.5 172.32 6.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 0.753 . . . . 1.0 110.293 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.1 mttm -69.36 87.75 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 1.0 109.244 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.825 ' HB3' ' HB2' ' A' ' 68' ' ' ALA . 0.6 OUTLIER -137.63 110.06 7.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 1.0 109.317 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.88 144.97 51.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 1.0 110.331 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.651 HG13 ' SG ' ' A' ' 100' ' ' CYS . 39.3 t -71.0 121.59 21.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 1.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.616 HD12 ' HB3' ' A' ' 103' ' ' GLN . 2.1 mt -107.33 -25.25 11.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 1.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.401 ' O ' ' SG ' ' A' ' 100' ' ' CYS . . . -162.0 163.17 34.68 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.439 1.087 . . . . 1.0 111.007 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -119.53 -171.81 2.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 1.0 111.028 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.493 ' OD1' ' CH2' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -83.66 179.45 7.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 1.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -91.99 -45.09 8.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 1.0 109.554 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.524 ' H ' ' ND2' ' A' ' 96' ' ' ASN . 1.1 p30 -92.55 29.38 1.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 1.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 96' ' ' ASN . . . 37.21 68.21 0.38 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.457 1.098 . . . . 1.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.47 -52.9 2.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 1.0 110.299 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.583 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 7.4 m95 -127.93 -174.53 3.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 1.0 107.996 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.651 ' SG ' HG13 ' A' ' 90' ' ' VAL . 10.3 t -136.14 151.86 50.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 1.0 108.332 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -115.62 145.04 43.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 1.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.412 ' HB3' HD21 ' A' ' 88' ' ' LEU . . . -135.28 157.05 47.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 1.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.616 ' HB3' HD12 ' A' ' 91' ' ' LEU . 42.6 tt0 -105.26 143.99 32.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 1.0 110.287 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.458 ' O ' ' C ' ' A' ' 105' ' ' LYS . 53.5 m -103.47 164.56 11.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 1.0 110.358 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 104' ' ' THR . 6.9 mtpp -34.44 -45.01 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 1.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -149.68 64.44 1.0 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 1.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 166.91 -166.58 39.22 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.513 1.133 . . . . 1.0 111.031 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.85 ' C ' HD12 ' A' ' 80' ' ' LEU . 4.2 mt-30 -152.78 148.76 27.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 0.796 . . . . 1.0 110.237 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.463 ' HA3' ' CB ' ' A' ' 80' ' ' LEU . . . -143.55 179.31 21.09 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.479 1.112 . . . . 1.0 111.045 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.493 ' CH2' ' OD1' ' A' ' 94' ' ' ASN . 21.0 m95 -114.5 143.54 44.79 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.024 -1.102 . . . . 1.0 108.024 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.861 HG13 HD11 ' A' ' 116' ' ' ILE . 3.1 p -160.18 134.31 5.19 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 1.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.583 ' HD3' ' CZ3' ' A' ' 99' ' ' TRP . 18.3 Cg_endo -75.02 147.81 34.35 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.477 1.778 . . . . 1.0 110.955 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.51 -14.49 19.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 1.0 109.999 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -69.26 -37.75 78.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 1.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.45 ' CD2' ' HG2' ' A' ' 112' ' ' PRO . 11.2 m-85 -94.93 4.87 53.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 1.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.861 HD11 HG13 ' A' ' 111' ' ' VAL . 11.1 mt -115.09 150.43 17.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 1.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.504 ' CG2' ' HG ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -128.81 157.9 74.03 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 1.0 110.399 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 178.49 7.18 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.487 1.783 . . . . 1.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.77 HG22 ' N ' ' A' ' 120' ' ' SER . 1.5 p -68.45 -101.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 1.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.77 ' N ' HG22 ' A' ' 119' ' ' VAL . 75.5 m . . . . . 0 C--O 1.249 1.076 0 CA-C-O 117.02 -1.467 . . . . 1.0 109.993 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.424 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 47.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.901 ' O ' HG23 ' A' ' 119' ' ' VAL . 0.8 OUTLIER -126.42 118.54 25.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 109.331 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.556 ' N ' HD13 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -120.53 146.59 46.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 1.0 110.999 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' A' ' 117' ' ' THR . 0.7 OUTLIER -104.83 153.67 6.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 1.0 109.324 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.959 ' HB2' HD22 ' A' ' 88' ' ' LEU . . . -69.88 129.13 38.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 1.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.679 HD12 ' CG2' ' A' ' 117' ' ' THR . 0.2 OUTLIER -87.93 -62.84 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 1.0 109.275 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -110.58 165.27 11.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 1.0 111.05 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -74.87 -169.93 0.99 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 1.0 109.345 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.657 ' HB2' HD12 ' A' ' 82' ' ' ILE . 1.0 OUTLIER -147.4 137.94 23.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 1.0 110.987 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 75' ' ' SER . 7.1 p -103.22 146.9 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 1.0 109.36 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.464 ' HB2' ' OG ' ' A' ' 81' ' ' SER . . . -70.45 60.08 0.2 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 1.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 73' ' ' VAL . 38.3 t -151.52 109.16 3.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 1.0 110.002 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 77' ' ' ASP . . . 156.15 43.19 0.02 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 1.0 110.958 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.442 ' O ' ' O ' ' A' ' 76' ' ' GLY . 0.2 OUTLIER 43.02 95.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 0.768 . . . . 1.0 109.335 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 61.18 96.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 1.0 109.276 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.643 HG23 ' N ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -148.64 179.04 8.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 1.0 110.376 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.659 HD12 ' C ' ' A' ' 108' ' ' GLN . 1.7 tt -131.9 120.05 22.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 1.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.464 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 8.7 m -87.16 111.85 21.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 1.0 109.986 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.657 HD12 ' HB2' ' A' ' 72' ' ' PHE . 0.1 OUTLIER -119.72 177.33 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 1.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.9 m -104.47 158.06 16.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 1.0 110.405 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -72.48 165.92 23.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 1.0 109.278 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 40.0 28.1 0.14 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.524 1.14 . . . . 1.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 84' ' ' LYS . 0.3 OUTLIER -97.07 175.19 6.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 0.792 . . . . 1.0 110.3 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.91 85.57 5.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 1.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.959 HD22 ' HB2' ' A' ' 68' ' ' ALA . 1.8 tt -143.02 119.72 11.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 1.0 109.332 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.699 ' HD3' HD11 ' A' ' 65' ' ' LEU . 9.1 mtt-85 -135.72 131.14 35.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 1.0 110.346 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.542 HG22 ' HB2' ' A' ' 102' ' ' ALA . 2.6 t -68.81 115.77 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 1.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.9 mt -118.99 14.13 13.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 1.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -141.33 145.08 15.38 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.495 1.122 . . . . 1.0 110.965 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -143.83 134.69 25.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 0.805 . . . . 1.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 99' ' ' TRP . 2.8 p30 -69.56 -168.05 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 1.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 96' ' ' ASN . 9.9 p-80 -85.43 -67.41 0.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 1.0 109.609 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.433 ' N ' ' OD1' ' A' ' 94' ' ' ASN . 75.4 m-80 -40.2 -70.06 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 1.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.428 ' CA ' HD21 ' A' ' 94' ' ' ASN . . . 123.79 38.3 0.54 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.505 1.128 . . . . 1.0 110.98 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -105.85 -35.75 7.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 0.738 . . . . 1.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.575 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 15.4 m95 -131.29 156.52 45.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 1.0 108.001 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.431 ' HB2' ' CG1' ' A' ' 90' ' ' VAL . 0.8 OUTLIER -135.56 137.61 42.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 1.0 108.303 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -79.76 140.36 36.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 1.0 110.315 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.64 ' HB2' HG11 ' A' ' 111' ' ' VAL . . . -128.48 156.06 43.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 1.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.4 ' HG2' ' NE2' ' A' ' 108' ' ' GLN . 5.2 mt-30 -121.48 129.5 52.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 1.0 110.351 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 36.8 p -129.05 164.38 23.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 1.0 110.385 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -68.82 -25.25 64.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 1.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 -73.31 -26.18 60.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.595 1.184 . . . . 1.0 109.27 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.427 ' C ' HD11 ' A' ' 80' ' ' LEU . . . 159.77 -146.32 12.59 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 1.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.659 ' C ' HD12 ' A' ' 80' ' ' LEU . 32.9 mt-30 -146.49 129.53 16.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 0.76 . . . . 1.0 110.267 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -153.45 -166.87 15.09 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.495 1.122 . . . . 1.0 111.034 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.409 ' CE3' ' HB3' ' A' ' 99' ' ' TRP . 51.2 m95 -90.31 157.01 17.86 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.011 -1.107 . . . . 1.0 108.011 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.64 HG11 ' HB2' ' A' ' 102' ' ' ALA . 4.0 p -160.31 124.44 2.05 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 1.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.575 ' HD3' ' CZ3' ' A' ' 99' ' ' TRP . 18.3 Cg_endo -74.94 146.06 32.45 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.463 1.77 . . . . 1.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.544 ' HA ' HD11 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -62.13 -15.47 45.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 1.0 110.008 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -76.98 -16.26 59.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 1.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -99.65 -4.83 30.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 1.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.879 HG22 ' HA ' ' A' ' 68' ' ' ALA . 2.0 pp -133.87 161.08 41.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 1.0 109.275 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.679 ' CG2' HD12 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -141.99 154.83 65.56 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 1.0 110.395 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 167.82 26.12 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.451 1.764 . . . . 1.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.901 HG23 ' O ' ' A' ' 65' ' ' LEU . 89.7 t -73.89 -110.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 1.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.638 ' N ' HG12 ' A' ' 119' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.114 0 CA-C-O 117.009 -1.472 . . . . 1.0 109.973 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.792 ' HB3' ' CZ ' ' A' ' 66' ' ' PHE . 47.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.607 ' O ' HG23 ' A' ' 119' ' ' VAL . 4.3 mm? -103.3 109.88 21.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.792 ' CZ ' ' HB3' ' A' ' 64' ' ' SER . 1.5 m-85 -115.84 158.1 23.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 1.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.461 ' HA ' ' O ' ' A' ' 88' ' ' LEU . 0.0 OUTLIER -129.28 139.71 51.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 1.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.757 ' HB2' ' HB3' ' A' ' 88' ' ' LEU . . . -68.0 138.01 55.55 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 1.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.666 ' CD1' HG21 ' A' ' 117' ' ' THR . 0.6 OUTLIER -91.71 -50.47 5.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 1.0 109.289 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -116.71 177.56 4.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 1.0 111.047 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -71.92 -176.22 1.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 1.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.655 ' CZ ' HG23 ' A' ' 79' ' ' THR . 0.3 OUTLIER -102.66 161.3 13.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 1.0 110.991 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.614 ' O ' ' CE1' ' A' ' 72' ' ' PHE . 61.6 t -135.16 154.46 36.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 1.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -44.56 164.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 1.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -148.28 -172.5 4.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 1.0 110.004 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -83.89 -129.72 1.73 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.49 1.119 . . . . 1.0 110.99 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 78' ' ' ASN . 12.1 t0 -71.18 59.5 0.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 0.752 . . . . 1.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.496 ' CB ' ' O ' ' A' ' 77' ' ' ASP . 0.4 OUTLIER 154.95 118.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 1.0 109.31 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.655 HG23 ' CZ ' ' A' ' 72' ' ' PHE . 0.6 OUTLIER -138.69 149.21 44.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 1.0 110.363 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.811 HD22 HG12 ' A' ' 82' ' ' ILE . 1.8 tt -136.08 114.96 12.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 1.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.6 m -79.58 104.23 10.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 1.0 109.983 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.926 ' HB ' HD11 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -135.07 157.15 40.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 1.0 109.283 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.5 m -121.77 153.22 38.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 1.0 110.405 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -62.38 -177.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 1.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 84' ' ' LYS . . . 33.49 51.63 0.57 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.46 1.1 . . . . 1.0 110.983 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -145.74 175.29 10.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 0.761 . . . . 1.0 110.37 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.52 84.25 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 1.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.926 HD11 ' HB ' ' A' ' 82' ' ' ILE . 0.1 OUTLIER -122.81 97.83 5.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 1.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.3 129.2 41.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 1.0 110.257 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.594 HG11 ' CE1' ' A' ' 93' ' ' TYR . 41.6 t -69.5 135.75 27.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 1.0 109.255 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.6 mt -110.77 -38.19 5.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 1.0 109.343 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -131.81 166.24 23.14 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.466 1.104 . . . . 1.0 110.986 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.594 ' CE1' HG11 ' A' ' 90' ' ' VAL . 9.0 m-85 -129.48 163.93 24.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 0.783 . . . . 1.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.482 ' OD1' ' N ' ' A' ' 97' ' ' GLY . 20.3 p-10 -80.88 -156.85 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 1.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.418 ' N ' ' CG ' ' A' ' 94' ' ' ASN . 0.2 OUTLIER -108.06 -31.96 7.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 1.0 109.616 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.542 ' O ' ' C ' ' A' ' 97' ' ' GLY . 18.8 t-20 -90.59 31.39 1.04 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 1.0 109.246 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.542 ' C ' ' O ' ' A' ' 96' ' ' ASN . . . 24.6 50.83 0.03 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.482 1.114 . . . . 1.0 110.982 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 96' ' ' ASN . 0.4 OUTLIER -122.51 -54.06 1.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 0.743 . . . . 1.0 110.259 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.549 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 16.8 m95 -107.44 160.37 15.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 1.0 108.036 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.513 ' SG ' ' CD2' ' A' ' 93' ' ' TYR . 55.3 m -136.01 139.23 42.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 1.0 108.272 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.402 ' OE2' ' O ' ' A' ' 109' ' ' GLY . 17.2 tp10 -77.18 128.03 33.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 1.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.738 ' HB3' ' CG1' ' A' ' 111' ' ' VAL . . . -117.89 165.13 14.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 1.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -127.55 147.06 50.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 1.0 110.277 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.727 HG22 ' H ' ' A' ' 106' ' ' ASN . 0.9 OUTLIER -104.54 146.85 28.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 1.0 110.383 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 104' ' ' THR . 0.0 OUTLIER -36.87 -38.11 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 1.0 109.285 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.727 ' H ' HG22 ' A' ' 104' ' ' THR . 5.2 m120 -146.86 53.18 1.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 1.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.405 ' C ' ' HB ' ' A' ' 104' ' ' THR . . . 177.02 -172.66 45.6 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.539 1.149 . . . . 1.0 110.961 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -150.33 176.72 10.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 1.0 110.306 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.721 ' C ' HD12 ' A' ' 80' ' ' LEU . . . 158.3 179.58 33.28 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.472 1.108 . . . . 1.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.414 ' C ' ' CG1' ' A' ' 111' ' ' VAL . 26.1 m95 -97.61 150.69 20.87 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.003 -1.11 . . . . 1.0 108.003 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.738 ' CG1' ' HB3' ' A' ' 102' ' ' ALA . 0.9 OUTLIER -149.59 132.97 8.47 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.155 . . . . 1.0 109.288 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.549 ' HD3' ' CZ3' ' A' ' 99' ' ' TRP . 18.3 Cg_endo -75.02 139.83 24.68 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.459 1.768 . . . . 1.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 116' ' ' ILE . 0.5 OUTLIER -75.6 -9.05 58.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 1.0 110.023 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -72.68 -24.57 61.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 1.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -99.16 -2.48 36.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 1.0 111.014 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.474 HD12 HG23 ' A' ' 111' ' ' VAL . 39.8 mt -124.73 150.66 29.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 1.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.666 HG21 ' CD1' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -131.99 157.89 76.99 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 1.0 110.417 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 175.6 11.03 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.535 1.808 . . . . 1.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 65' ' ' LEU . 50.5 t -99.18 4.24 10.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.428 1.08 . . . . 1.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 83.8 p . . . . . 0 C--O 1.251 1.136 0 CA-C-O 117.0 -1.476 . . . . 1.0 110.007 180.0 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.415 ' C ' HD22 ' A' ' 65' ' ' LEU . 47.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.415 HD22 ' C ' ' A' ' 64' ' ' SER . 3.5 mm? -114.57 119.44 36.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 109.345 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.481 ' N ' ' CD1' ' A' ' 66' ' ' PHE . 0.2 OUTLIER -116.45 152.01 34.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 1.0 111.028 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 117' ' ' THR . 0.7 OUTLIER -118.22 146.08 23.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 1.0 109.325 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.723 ' HB2' HD22 ' A' ' 88' ' ' LEU . . . -66.24 129.35 39.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 1.0 109.262 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.663 HD12 ' HB ' ' A' ' 117' ' ' THR . 0.2 OUTLIER -75.55 -60.63 2.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 1.0 109.294 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -112.68 163.95 13.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 1.0 110.994 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 17.1 p30 -72.54 174.95 6.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 1.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.897 ' CE1' ' HB3' ' A' ' 74' ' ' ALA . 3.8 t80 -121.31 121.24 37.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 1.0 110.961 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.586 HG22 ' O ' ' A' ' 73' ' ' VAL . 7.9 p -135.09 23.87 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 1.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.897 ' HB3' ' CE1' ' A' ' 72' ' ' PHE . . . -75.29 176.02 7.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 1.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.6 t -150.14 171.8 16.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 1.0 109.966 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 77' ' ' ASP . . . 112.37 -140.34 16.18 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.464 1.103 . . . . 1.0 111.004 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 78' ' ' ASN . 1.8 p30 -52.21 -176.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 0.79 . . . . 1.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 77' ' ' ASP . 4.2 m-80 -38.73 129.01 1.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 1.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.494 HG23 ' CE1' ' A' ' 72' ' ' PHE . 0.5 OUTLIER -146.01 169.66 18.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 1.0 110.374 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.629 HD22 HG13 ' A' ' 82' ' ' ILE . 1.1 tt -134.02 116.37 15.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 1.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.9 m -99.04 109.31 22.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 1.0 110.006 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.979 ' HB ' HD11 ' A' ' 88' ' ' LEU . 0.2 OUTLIER -136.34 -172.7 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 1.0 109.276 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.487 ' O ' ' CD1' ' A' ' 88' ' ' LEU . 17.0 m -118.1 161.19 20.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 1.0 110.389 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -75.43 172.07 13.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 1.0 109.322 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 40.12 28.09 0.15 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.456 1.098 . . . . 1.0 111.019 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -114.45 -177.38 3.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 0.774 . . . . 1.0 110.309 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.39 82.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 1.0 109.349 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.979 HD11 ' HB ' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -127.44 90.41 3.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 1.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -120.24 127.79 52.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 1.0 110.304 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.496 HG11 ' CE1' ' A' ' 93' ' ' TYR . 24.4 t -71.27 144.13 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 1.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.898 HD12 ' OE1' ' A' ' 103' ' ' GLN . 4.3 mt -117.67 -41.62 2.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 1.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -127.01 169.92 18.86 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.436 1.085 . . . . 1.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.601 ' CE2' ' SG ' ' A' ' 100' ' ' CYS . 9.7 m-85 -134.02 175.69 9.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 0.761 . . . . 1.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.614 ' OD1' ' CH2' ' A' ' 110' ' ' TRP . 5.5 m-20 -78.01 -87.96 0.05 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.573 1.171 . . . . 1.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.501 ' CB ' ' O ' ' A' ' 94' ' ' ASN . 0.1 OUTLIER 163.07 38.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 1.0 109.65 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 95' ' ' HIS . 5.1 t30 174.28 39.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 1.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 39.77 62.39 1.43 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.522 1.139 . . . . 1.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -119.37 -69.74 0.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.749 . . . . 1.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.566 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 15.9 m95 -127.71 164.2 22.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 1.0 108.031 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.601 ' SG ' ' CE2' ' A' ' 93' ' ' TYR . 18.8 m -136.33 130.27 32.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 1.0 108.255 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.571 ' HG3' ' CD1' ' A' ' 110' ' ' TRP . 26.9 tt0 -80.03 134.2 36.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 1.0 110.352 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -132.58 159.78 38.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 1.0 109.298 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.898 ' OE1' HD12 ' A' ' 91' ' ' LEU . 1.5 mt-30 -123.76 151.36 43.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 1.0 110.241 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.817 HG22 ' H ' ' A' ' 106' ' ' ASN . 1.1 m -104.6 145.16 30.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 1.0 110.44 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.461 ' HE2' HG23 ' A' ' 104' ' ' THR . 0.0 OUTLIER -39.9 -33.67 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 1.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.817 ' H ' HG22 ' A' ' 104' ' ' THR . 28.9 m-20 -142.97 57.3 1.41 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 1.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 167.64 179.25 40.26 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.443 1.089 . . . . 1.0 110.987 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -150.19 164.52 35.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 0.749 . . . . 1.0 110.327 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.406 ' O ' HD12 ' A' ' 80' ' ' LEU . . . 166.39 178.1 38.83 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.477 1.111 . . . . 1.0 111.049 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.614 ' CH2' ' OD1' ' A' ' 94' ' ' ASN . 4.4 m95 -106.45 161.77 14.29 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.956 -1.127 . . . . 1.0 107.956 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.614 HG23 ' HD2' ' A' ' 112' ' ' PRO . 3.1 p -159.75 140.95 9.27 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 1.0 109.282 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.614 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.4 Cg_endo -75.0 147.08 33.44 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 1.0 111.027 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.05 -11.17 60.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 1.0 109.991 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -69.72 -30.95 68.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 1.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -94.84 -1.12 53.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 1.0 110.976 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.546 HD11 ' CG1' ' A' ' 111' ' ' VAL . 11.6 mt -120.16 147.48 23.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 1.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.663 ' HB ' HD12 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -134.12 156.09 79.45 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.148 . . . . 1.0 110.422 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 171.04 19.09 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.515 1.798 . . . . 1.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.56 ' O ' HG12 ' A' ' 119' ' ' VAL . 35.4 t -98.91 3.92 10.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 1.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 24.7 p . . . . . 0 C--O 1.25 1.094 0 CA-C-O 117.013 -1.47 . . . . 1.0 109.984 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.699 ' C ' HD22 ' A' ' 65' ' ' LEU . 47.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.821 ' O ' HG23 ' A' ' 119' ' ' VAL . 2.8 mm? -118.13 179.87 3.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 109.349 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.555 ' CD1' ' HA ' ' A' ' 118' ' ' PRO . 7.4 m-30 -116.52 167.05 11.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 1.0 110.964 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.6 144.48 37.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 1.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.81 ' HB2' HD22 ' A' ' 88' ' ' LEU . . . -72.03 129.95 39.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 1.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.609 ' CD1' HG21 ' A' ' 117' ' ' THR . 0.8 OUTLIER -91.28 -64.13 1.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.122 . . . . 1.0 109.341 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -100.51 165.25 11.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 1.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -86.53 169.08 13.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 1.078 . . . . 1.0 109.283 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.465 ' CE1' HG23 ' A' ' 79' ' ' THR . 2.6 t80 -117.95 143.37 46.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 1.0 110.943 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.4 ' O ' ' N ' ' A' ' 75' ' ' SER . 11.4 p -116.2 149.98 18.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 1.0 109.254 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.57 90.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 1.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 73' ' ' VAL . 29.0 t -150.13 125.7 10.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 1.0 109.989 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.0 169.19 39.53 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.486 1.117 . . . . 1.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 78' ' ' ASN . 6.9 t70 -84.49 156.96 21.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 1.0 109.312 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 77' ' ' ASP . 4.4 t30 39.9 65.74 0.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 1.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.494 HG23 ' N ' ' A' ' 80' ' ' LEU . 0.3 OUTLIER -117.81 170.0 9.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 1.0 110.368 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.932 HD22 ' CD1' ' A' ' 82' ' ' ILE . 1.4 tt -137.12 124.67 22.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 1.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.9 m -94.96 115.12 27.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 1.0 109.984 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.932 ' CD1' HD22 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -124.42 174.5 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 1.0 109.296 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -114.75 149.97 36.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 1.0 110.374 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -60.9 179.19 0.19 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 1.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 84' ' ' LYS . . . 34.57 42.27 0.3 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 1.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -122.33 154.29 37.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 0.748 . . . . 1.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.05 92.61 0.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 1.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.818 HD12 HG21 ' A' ' 82' ' ' ILE . 9.9 tt -136.15 114.72 11.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 1.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.15 137.71 51.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 1.0 110.323 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.4 t -69.95 139.72 19.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 1.0 109.324 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -108.47 -38.61 5.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 1.0 109.242 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 101' ' ' GLU . . . -137.43 156.05 23.3 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.464 1.102 . . . . 1.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.46 ' HA ' ' HA ' ' A' ' 100' ' ' CYS . 0.1 OUTLIER -124.29 177.85 5.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 0.751 . . . . 1.0 111.018 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.507 ' OD1' ' CZ3' ' A' ' 110' ' ' TRP . 0.5 OUTLIER -72.43 177.97 4.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 1.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -86.06 -58.44 2.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 1.0 109.631 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -65.11 -55.89 16.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 1.0 109.283 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 127.06 64.37 0.15 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.522 1.139 . . . . 1.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -120.38 -51.76 2.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 0.764 . . . . 1.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.543 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 7.8 m95 -125.47 175.02 7.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.101 . . . . 1.0 108.033 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.541 ' O ' HG12 ' A' ' 111' ' ' VAL . 1.4 p -136.05 143.65 44.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 1.0 108.297 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 92' ' ' GLY . 22.3 tt0 -91.99 136.98 32.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 1.0 110.313 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -133.43 153.38 51.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 1.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.427 ' CB ' ' HG3' ' A' ' 108' ' ' GLN . 16.6 tt0 -122.1 140.15 52.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 1.0 110.342 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.877 HG21 HD12 ' A' ' 82' ' ' ILE . 48.7 p -124.08 167.32 14.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 1.0 110.405 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.41 -21.04 60.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 1.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -83.43 -20.25 34.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 1.0 109.346 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 104' ' ' THR . . . 162.06 -143.06 8.45 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 1.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.706 ' C ' HD12 ' A' ' 80' ' ' LEU . 0.9 OUTLIER -150.77 160.62 43.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 0.781 . . . . 1.0 110.29 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.516 ' N ' HD12 ' A' ' 80' ' ' LEU . . . 178.41 -172.81 45.26 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.503 1.127 . . . . 1.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.507 ' CZ3' ' OD1' ' A' ' 94' ' ' ASN . 25.9 m95 -89.68 165.44 14.21 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.998 -1.112 . . . . 1.0 107.998 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.541 HG12 ' O ' ' A' ' 100' ' ' CYS . 6.4 p -160.78 134.27 4.86 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 1.0 109.312 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.543 ' HD3' ' CZ3' ' A' ' 99' ' ' TRP . 18.4 Cg_endo -74.99 146.57 32.87 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.469 1.773 . . . . 1.0 111.055 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.444 ' O ' ' O ' ' A' ' 116' ' ' ILE . 5.8 t -71.38 -27.13 63.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 1.0 109.994 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -72.29 -4.13 27.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 1.0 109.291 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -111.81 -18.6 12.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 1.0 111.002 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.553 HG23 ' HA ' ' A' ' 68' ' ' ALA . 4.8 mm -125.77 141.78 44.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 1.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.609 HG21 ' CD1' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -126.04 158.32 66.49 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 1.0 110.373 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.555 ' HA ' ' CD1' ' A' ' 66' ' ' PHE . 18.2 Cg_endo -75.0 178.41 7.31 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.528 1.804 . . . . 1.0 111.055 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.821 HG23 ' O ' ' A' ' 65' ' ' LEU . 88.8 t -89.81 -110.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 1.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.661 ' N ' HG12 ' A' ' 119' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.094 0 CA-C-O 116.99 -1.481 . . . . 1.0 109.974 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.581 ' O ' ' CE1' ' A' ' 66' ' ' PHE . 47.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.81 ' O ' HG23 ' A' ' 119' ' ' VAL . 0.1 OUTLIER -96.82 115.41 27.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 109.309 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.581 ' CE1' ' O ' ' A' ' 64' ' ' SER . 0.7 OUTLIER -108.99 155.64 20.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 1.0 110.951 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.551 ' O ' HG23 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -120.21 158.26 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 1.0 109.332 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.877 ' HB2' HD22 ' A' ' 88' ' ' LEU . . . -69.85 128.47 36.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 1.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.585 HD22 HG21 ' A' ' 117' ' ' THR . 13.8 tp -111.37 -81.54 0.58 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 1.0 109.347 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.453 ' N ' ' HG ' ' A' ' 69' ' ' LEU . 12.0 m-85 -70.68 163.02 27.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 1.0 111.026 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.68 169.07 11.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 1.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.483 ' CD1' ' N ' ' A' ' 73' ' ' VAL . 15.0 t80 -125.75 167.2 15.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 1.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.483 ' N ' ' CD1' ' A' ' 72' ' ' PHE . 8.8 p -125.98 145.41 33.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 1.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.94 144.49 18.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 1.0 109.327 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.5 m -131.51 177.31 7.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 1.0 110.005 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -104.96 55.61 0.57 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.445 1.09 . . . . 1.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 79' ' ' THR . 0.7 OUTLIER 174.7 -172.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 0.769 . . . . 1.0 109.277 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -56.01 88.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 1.143 . . . . 1.0 109.331 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.492 HG23 ' N ' ' A' ' 80' ' ' LEU . 0.3 OUTLIER -132.77 170.37 15.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 1.0 110.432 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.835 HD21 ' OG1' ' A' ' 104' ' ' THR . 1.2 tt -134.81 116.7 15.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 1.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.3 m -98.01 110.6 23.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 1.0 109.991 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.523 ' H ' HD12 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -131.61 -174.88 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 1.0 109.319 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.7 m -125.66 157.84 36.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 1.0 110.428 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.515 ' O ' ' C ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -57.25 -179.78 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 1.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.515 ' C ' ' O ' ' A' ' 84' ' ' LYS . . . 27.99 54.2 0.11 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.495 1.122 . . . . 1.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.451 ' OE2' HG22 ' A' ' 82' ' ' ILE . 8.3 tt0 -121.23 162.0 20.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 0.782 . . . . 1.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.71 82.83 8.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 1.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.877 HD22 ' HB2' ' A' ' 68' ' ' ALA . 1.4 tt -144.71 123.07 12.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 1.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.508 ' HG2' HG12 ' A' ' 67' ' ' VAL . 31.2 mtm-85 -135.55 147.76 48.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 1.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.458 ' CG1' ' HB3' ' A' ' 100' ' ' CYS . 9.4 t -69.82 127.17 31.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 1.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.649 HD12 ' OE1' ' A' ' 103' ' ' GLN . 3.3 mt -105.91 -31.05 8.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 1.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -136.17 168.03 24.2 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 1.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.573 ' N ' ' CD1' ' A' ' 93' ' ' TYR . 0.1 OUTLIER -131.67 161.97 31.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 0.774 . . . . 1.0 111.033 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.471 ' O ' ' CB ' ' A' ' 95' ' ' HIS . 2.8 p30 -77.68 -18.13 56.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.153 . . . . 1.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.471 ' CB ' ' O ' ' A' ' 94' ' ' ASN . 0.5 OUTLIER 85.23 80.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 1.0 109.575 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 170.94 -48.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 1.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 111.61 38.36 1.46 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.54 1.15 . . . . 1.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -120.32 -62.35 1.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 0.781 . . . . 1.0 110.307 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.446 ' CE2' ' HB3' ' A' ' 112' ' ' PRO . 16.3 m95 -125.49 154.57 41.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 1.0 107.969 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.458 ' HB3' ' CG1' ' A' ' 90' ' ' VAL . 97.8 m -135.33 143.87 46.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 1.0 108.256 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -84.17 134.04 34.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 1.0 110.328 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -135.13 168.06 19.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 1.0 109.334 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.649 ' OE1' HD12 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -111.71 162.45 15.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 1.0 110.327 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.835 ' OG1' HD21 ' A' ' 80' ' ' LEU . 3.3 m -104.88 157.48 17.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 1.0 110.4 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 104' ' ' THR . 1.5 ttpt -39.75 -37.74 0.57 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 1.0 109.252 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -150.29 34.93 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 1.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.416 ' CA ' ' HB ' ' A' ' 104' ' ' THR . . . -159.9 -156.32 8.09 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.137 . . . . 1.0 110.985 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -151.28 176.5 11.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 0.774 . . . . 1.0 110.295 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.411 ' C ' HD12 ' A' ' 80' ' ' LEU . . . 155.36 -174.7 33.46 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.105 . . . . 1.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 21.7 m95 -97.97 167.17 11.07 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.005 -1.109 . . . . 1.0 108.005 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.432 HG13 ' O ' ' A' ' 111' ' ' VAL . 5.2 p -159.19 119.9 1.79 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 1.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.548 ' HG2' ' CD1' ' A' ' 115' ' ' TYR . 18.2 Cg_endo -75.01 145.15 31.05 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.527 1.804 . . . . 1.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 116' ' ' ILE . 30.4 t -69.74 -14.93 63.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 1.0 109.984 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -71.56 -22.39 61.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 1.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.548 ' CD1' ' HG2' ' A' ' 112' ' ' PRO . 29.6 m-85 -106.39 -2.36 22.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 1.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.551 HG23 ' O ' ' A' ' 67' ' ' VAL . 7.3 mm -124.81 142.2 42.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 1.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.585 HG21 HD22 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -123.66 159.44 55.62 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 1.0 110.36 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.441 ' HA ' ' HA ' ' A' ' 66' ' ' PHE . 18.1 Cg_endo -75.01 170.72 19.8 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.446 1.761 . . . . 1.0 111.014 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 65' ' ' LEU . 93.0 t -83.33 4.66 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 1.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.1 p . . . . . 0 C--O 1.251 1.135 0 CA-C-O 116.987 -1.482 . . . . 1.0 109.99 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.595 ' O ' HG23 ' A' ' 119' ' ' VAL . 4.3 mm? -72.86 -179.15 3.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.567 ' CD1' ' HB ' ' A' ' 90' ' ' VAL . 0.9 OUTLIER -113.08 156.97 22.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 1.0 110.962 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.459 HG22 HG22 ' A' ' 119' ' ' VAL . 0.0 OUTLIER -121.47 141.37 42.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 1.0 109.295 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 1.003 ' HB2' HD22 ' A' ' 88' ' ' LEU . . . -70.58 139.9 51.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 1.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.483 ' HG ' HG21 ' A' ' 117' ' ' THR . 1.7 mt -107.77 -74.32 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 1.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -94.24 166.28 12.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 1.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.1 p-10 -91.73 173.88 7.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 1.0 109.262 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.405 ' HE1' ' HB2' ' A' ' 74' ' ' ALA . 10.3 t80 -138.41 139.84 39.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 1.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.8 p -125.33 101.07 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 1.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.472 ' CB ' HG22 ' A' ' 79' ' ' THR . . . -75.38 -174.85 2.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 1.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 90.4 p -144.98 62.77 1.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 1.0 110.003 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 54.37 90.1 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.505 1.128 . . . . 1.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -168.46 -179.07 3.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 1.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -63.88 -13.08 42.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 1.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.472 HG22 ' CB ' ' A' ' 74' ' ' ALA . 0.6 OUTLIER -69.82 165.64 21.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 1.0 110.423 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.54 HD12 ' C ' ' A' ' 108' ' ' GLN . 3.7 tt -135.82 117.64 15.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 1.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.488 ' O ' ' CD2' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -73.66 178.84 4.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 1.0 109.959 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 1.059 HD13 ' CD1' ' A' ' 88' ' ' LEU . 0.1 OUTLIER -152.05 162.34 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 1.0 109.34 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.3 m -104.83 152.09 23.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 1.0 110.393 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.472 ' O ' ' C ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -66.33 174.72 2.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 1.0 109.289 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.472 ' C ' ' O ' ' A' ' 84' ' ' LYS . . . 32.07 41.24 0.09 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.513 1.133 . . . . 1.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 84' ' ' LYS . 11.0 tp10 -111.07 151.34 28.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 1.0 110.254 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.44 86.42 6.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 1.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 1.059 ' CD1' HD13 ' A' ' 82' ' ' ILE . 0.4 OUTLIER -121.19 127.81 51.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 1.0 109.27 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 10.6 mtp85 -135.44 137.35 42.14 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.462 1.101 . . . . 1.0 110.307 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.567 ' HB ' ' CD1' ' A' ' 66' ' ' PHE . 98.4 t -78.2 111.53 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 1.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.1 mt -113.23 -7.94 13.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 1.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -123.2 154.21 17.18 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.504 1.128 . . . . 1.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -143.69 146.82 33.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 0.783 . . . . 1.0 110.977 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.448 ' OD1' ' N ' ' A' ' 96' ' ' ASN . 6.1 p30 -69.91 -161.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.084 . . . . 1.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -120.34 66.7 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 1.0 109.597 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.448 ' N ' ' OD1' ' A' ' 94' ' ' ASN . 8.1 t30 172.17 -63.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 1.0 109.33 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 132.04 45.28 0.14 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.523 1.139 . . . . 1.0 110.958 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -109.96 -48.62 3.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 0.76 . . . . 1.0 110.262 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.544 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 10.1 m95 -136.32 166.58 23.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 1.0 108.018 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.487 ' O ' HG12 ' A' ' 111' ' ' VAL . 33.8 m -136.36 142.98 43.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 1.0 108.273 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -85.19 136.12 33.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 1.0 110.297 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.564 ' CB ' HG11 ' A' ' 111' ' ' VAL . . . -135.2 169.95 16.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 1.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -106.68 150.68 26.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 1.0 110.329 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 105' ' ' LYS . 1.7 m -114.17 162.92 15.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 1.0 110.428 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 104' ' ' THR . 8.4 mtmt -37.32 -58.29 0.84 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 1.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -137.11 49.34 2.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 1.0 109.347 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -174.12 176.54 46.54 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.55 1.156 . . . . 1.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.54 ' C ' HD12 ' A' ' 80' ' ' LEU . 3.5 tt0 -153.28 136.54 15.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 0.73 . . . . 1.0 110.296 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -165.94 -161.01 14.02 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.557 1.161 . . . . 1.0 111.018 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 39.3 m95 -83.37 160.24 21.67 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.984 -1.117 . . . . 1.0 107.984 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.741 HG23 HD11 ' A' ' 82' ' ' ILE . 3.6 p -160.06 126.25 2.42 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 1.0 109.352 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.544 ' HD3' ' CZ3' ' A' ' 99' ' ' TRP . 18.3 Cg_endo -74.91 140.47 25.75 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.475 1.777 . . . . 1.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.424 ' O ' ' O ' ' A' ' 116' ' ' ILE . 43.2 t -74.88 -8.36 56.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 1.0 110.002 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -70.43 -27.68 64.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 1.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -98.49 -5.25 32.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 1.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.674 HD11 ' CG2' ' A' ' 111' ' ' VAL . 13.3 mt -121.97 163.64 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 1.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.483 HG21 ' HG ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -141.96 154.78 65.58 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.429 1.081 . . . . 1.0 110.398 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.403 ' HA ' ' HA ' ' A' ' 66' ' ' PHE . 18.4 Cg_endo -74.95 177.96 7.87 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.445 1.761 . . . . 1.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 65' ' ' LEU . 74.9 t -105.32 4.46 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 1.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 42.6 m . . . . . 0 C--O 1.249 1.062 0 CA-C-O 117.06 -1.448 . . . . 1.0 109.966 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' A' ' 65' ' ' LEU . 4.0 mm? -102.28 178.11 4.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.486 ' CD1' ' N ' ' A' ' 66' ' ' PHE . 0.1 OUTLIER -121.64 152.86 38.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 1.0 111.004 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -121.36 153.03 25.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 1.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 1.061 ' HB2' HD23 ' A' ' 88' ' ' LEU . . . -74.77 98.05 3.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 1.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.458 ' HB2' ' CG2' ' A' ' 117' ' ' THR . 0.1 OUTLIER -84.94 -41.0 16.33 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 1.0 109.265 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -97.49 163.08 13.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 1.0 110.985 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.76 154.48 17.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 1.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.969 ' CE1' ' HB3' ' A' ' 74' ' ' ALA . 8.5 t80 -126.85 122.01 33.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 1.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.543 ' O ' HG12 ' A' ' 73' ' ' VAL . 47.9 t -134.56 44.06 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 1.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.969 ' HB3' ' CE1' ' A' ' 72' ' ' PHE . . . -75.2 174.27 9.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 1.0 109.297 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 59.5 p -148.61 121.5 8.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 1.0 109.959 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 172.41 -147.72 10.13 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.512 1.132 . . . . 1.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 78' ' ' ASN . 3.3 m-20 -105.35 152.94 22.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 0.752 . . . . 1.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 77' ' ' ASP . 7.3 m120 39.97 69.52 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 1.0 109.31 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.482 HG23 ' N ' ' A' ' 80' ' ' LEU . 0.5 OUTLIER -127.4 170.0 13.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 1.0 110.401 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.9 HD21 HG21 ' A' ' 104' ' ' THR . 1.4 tt -134.9 116.67 15.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 1.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.0 m -106.88 112.49 25.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 1.0 110.008 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.472 HG12 HD13 ' A' ' 88' ' ' LEU . 0.2 OUTLIER -128.25 -178.42 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 1.0 109.284 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.5 m -121.84 159.26 27.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 1.0 110.397 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.484 ' O ' ' C ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -62.21 -176.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 1.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.484 ' C ' ' O ' ' A' ' 84' ' ' LYS . . . 30.56 43.97 0.08 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.484 1.115 . . . . 1.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -118.8 156.75 28.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 0.739 . . . . 1.0 110.285 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.52 84.2 7.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 1.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 1.061 HD23 ' HB2' ' A' ' 68' ' ' ALA . 0.1 OUTLIER -141.36 122.25 14.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 1.0 109.308 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.462 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -132.85 153.25 51.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 1.0 110.342 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 77.3 t -69.93 135.28 28.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 1.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.531 HD13 ' CD ' ' A' ' 103' ' ' GLN . 0.4 OUTLIER -104.37 -43.14 5.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 1.0 109.263 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -146.6 163.13 28.53 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.509 1.13 . . . . 1.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -121.29 155.74 34.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.767 . . . . 1.0 111.03 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 95' ' ' HIS . 0.4 OUTLIER -72.66 175.96 5.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 1.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.547 ' O ' ' ND2' ' A' ' 96' ' ' ASN . 36.0 t-80 -73.27 58.17 0.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 1.0 109.603 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.547 ' ND2' ' O ' ' A' ' 95' ' ' HIS . 0.7 OUTLIER 157.88 177.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.128 . . . . 1.0 109.321 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -99.77 63.75 0.66 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.468 1.105 . . . . 1.0 110.969 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -120.72 -63.43 1.35 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 0.759 . . . . 1.0 110.28 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.468 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 14.6 m95 -135.24 159.92 40.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 1.0 107.98 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.418 ' O ' HG12 ' A' ' 111' ' ' VAL . 14.3 m -136.11 142.11 44.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 1.0 108.293 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -79.1 132.69 36.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 1.0 110.307 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.511 ' CB ' HG11 ' A' ' 111' ' ' VAL . . . -132.25 163.88 27.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 1.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.531 ' CD ' HD13 ' A' ' 91' ' ' LEU . 34.3 mt-30 -126.2 161.78 26.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 1.0 110.252 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.9 HG21 HD21 ' A' ' 80' ' ' LEU . 4.5 p -134.76 166.82 22.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 1.0 110.427 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.469 ' C ' ' O ' ' A' ' 104' ' ' THR . 4.4 tptt -35.65 -60.37 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 1.0 109.342 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -136.9 56.77 1.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 1.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.489 ' O ' ' N ' ' A' ' 104' ' ' THR . . . -176.29 148.64 9.28 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.492 1.12 . . . . 1.0 111.053 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.476 ' HG3' ' CG ' ' A' ' 103' ' ' GLN . 44.5 tt0 -150.75 151.35 32.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 0.74 . . . . 1.0 110.329 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.505 ' H ' HD12 ' A' ' 80' ' ' LEU . . . 172.51 -160.21 31.33 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.501 1.126 . . . . 1.0 111.016 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 29.1 m95 -84.15 146.08 28.05 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.0 -1.111 . . . . 1.0 108.0 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.593 ' CG2' HD11 ' A' ' 116' ' ' ILE . 1.2 p -148.21 124.96 5.47 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 1.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.556 ' HG2' ' CD1' ' A' ' 115' ' ' TYR . 18.3 Cg_endo -75.02 144.61 30.37 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.465 1.771 . . . . 1.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.439 ' O ' ' O ' ' A' ' 116' ' ' ILE . 0.1 OUTLIER -75.0 -14.27 60.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 1.0 109.993 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -74.08 -14.99 61.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 1.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.556 ' CD1' ' HG2' ' A' ' 112' ' ' PRO . 13.7 m-85 -104.05 -10.79 17.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 1.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.593 HD11 ' CG2' ' A' ' 111' ' ' VAL . 13.1 mt -124.04 143.29 37.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 1.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.458 ' CG2' ' HB2' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -131.86 158.66 74.84 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 1.0 110.409 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.441 ' HA ' ' HA ' ' A' ' 66' ' ' PHE . 18.5 Cg_endo -74.98 168.19 25.39 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.51 1.795 . . . . 1.0 111.038 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.656 HG12 ' N ' ' A' ' 120' ' ' SER . 87.6 t -76.66 -110.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 1.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.656 ' N ' HG12 ' A' ' 119' ' ' VAL . 26.2 m . . . . . 0 C--O 1.251 1.136 0 CA-C-O 116.934 -1.508 . . . . 1.0 109.99 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.546 ' N ' HD22 ' A' ' 65' ' ' LEU . 1.8 mm? . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.33 -0.618 . . . . 1.0 109.33 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.449 ' HA ' ' HA ' ' A' ' 118' ' ' PRO . 0.3 OUTLIER -115.9 153.75 30.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 1.0 110.973 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.953 ' O ' HG23 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -118.35 162.51 16.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 1.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.786 ' HB2' ' HB3' ' A' ' 88' ' ' LEU . . . -68.98 132.16 46.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 1.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.483 ' HB2' ' CG2' ' A' ' 117' ' ' THR . 10.4 tp -113.13 -79.3 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 1.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.43 ' N ' ' HG ' ' A' ' 69' ' ' LEU . 10.9 m-85 -79.93 163.85 23.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 1.0 110.99 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -87.58 176.73 7.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 1.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.448 ' CB ' HD12 ' A' ' 82' ' ' ILE . 6.6 t80 -136.46 167.28 21.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 1.0 110.974 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.418 ' N ' ' CD1' ' A' ' 72' ' ' PHE . 88.6 t -127.21 143.22 41.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 1.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.54 158.55 1.76 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.54 1.15 . . . . 1.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.9 t -149.1 -57.95 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 1.0 110.015 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -164.35 -155.26 8.26 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.505 1.128 . . . . 1.0 110.978 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.4 ' O ' ' CG ' ' A' ' 78' ' ' ASN . 4.9 t70 -93.6 60.07 2.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 0.793 . . . . 1.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.4 ' CG ' ' O ' ' A' ' 77' ' ' ASP . 15.7 m-80 -163.47 -43.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 1.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.557 HG23 ' N ' ' A' ' 80' ' ' LEU . 0.3 OUTLIER -69.63 173.88 5.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 1.0 110.374 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.799 ' CD2' HG21 ' A' ' 104' ' ' THR . 1.6 tt -133.96 117.54 16.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 1.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.1 m -93.63 111.93 23.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 1.0 109.974 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.633 ' H ' HD12 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -130.62 -177.72 2.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.12 . . . . 1.0 109.358 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.0 m -106.58 170.13 8.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 1.0 110.378 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -72.55 161.58 30.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 1.0 109.24 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 37.66 30.12 0.06 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 1.0 110.982 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.741 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 1.5 tt0 -83.17 160.64 21.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 0.755 . . . . 1.0 110.293 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.0 84.42 6.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 1.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.805 HD23 ' O ' ' A' ' 88' ' ' LEU . 0.6 OUTLIER -140.52 113.82 8.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 1.0 109.296 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.485 ' HE ' HD12 ' A' ' 65' ' ' LEU . 24.3 ttt-85 -118.07 146.29 44.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 1.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 89.3 t -70.64 134.77 29.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 1.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.482 ' HA ' HD23 ' A' ' 91' ' ' LEU . 2.7 mt -107.26 -40.3 5.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 1.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -138.14 166.79 25.12 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.519 1.137 . . . . 1.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -120.28 174.94 6.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.766 . . . . 1.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -92.56 21.86 5.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 1.0 109.256 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 69.26 36.73 2.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 1.0 109.597 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -176.99 -175.38 0.59 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 1.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -106.26 54.7 0.57 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.486 1.116 . . . . 1.0 110.965 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -120.31 -66.9 1.02 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 0.806 . . . . 1.0 110.315 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.559 ' CZ2' ' HB3' ' A' ' 112' ' ' PRO . 19.8 m95 -135.3 156.27 49.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 1.0 108.006 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.436 ' O ' HG22 ' A' ' 111' ' ' VAL . 4.4 m -136.04 140.99 44.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 1.0 108.286 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.19 134.87 35.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 1.0 110.332 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.868 ' HB3' HG11 ' A' ' 111' ' ' VAL . . . -134.3 163.11 30.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 1.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.44 ' CD ' HD12 ' A' ' 91' ' ' LEU . 32.8 mt-30 -115.87 161.69 18.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 1.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.799 HG21 ' CD2' ' A' ' 80' ' ' LEU . 4.2 p -135.46 145.97 47.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 1.0 110.395 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.56 -21.87 29.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 1.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -86.77 -40.11 15.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 1.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 104' ' ' THR . . . -171.64 -131.3 1.33 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.481 1.113 . . . . 1.0 110.962 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -148.71 178.69 8.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 0.783 . . . . 1.0 110.346 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.658 ' N ' HD12 ' A' ' 80' ' ' LEU . . . 158.1 -177.48 34.8 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.554 1.159 . . . . 1.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 26.6 m95 -88.46 155.33 19.73 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.985 -1.117 . . . . 1.0 107.985 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.868 HG11 ' HB3' ' A' ' 102' ' ' ALA . 1.0 OUTLIER -147.39 123.5 5.46 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 1.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.565 ' HG2' ' CD1' ' A' ' 115' ' ' TYR . 18.3 Cg_endo -75.04 145.52 31.41 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.451 1.764 . . . . 1.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.425 ' O ' ' O ' ' A' ' 116' ' ' ILE . 0.3 OUTLIER -68.88 -19.22 64.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 1.0 109.994 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.37 -11.33 60.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 1.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.565 ' CD1' ' HG2' ' A' ' 112' ' ' PRO . 5.4 m-85 -105.63 -10.11 16.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 1.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.953 HG23 ' O ' ' A' ' 67' ' ' VAL . 3.6 mt -127.82 143.17 41.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 1.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.483 ' CG2' ' HB2' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -123.28 160.11 51.63 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 1.0 110.373 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.449 ' HA ' ' HA ' ' A' ' 66' ' ' PHE . 18.3 Cg_endo -74.96 168.82 23.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.505 1.792 . . . . 1.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.534 ' O ' HG12 ' A' ' 119' ' ' VAL . 95.8 t -83.58 4.74 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 1.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 9.3 t . . . . . 0 C--O 1.249 1.069 0 CA-C-O 116.975 -1.488 . . . . 1.0 110.02 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.452 HD13 ' HA ' ' A' ' 65' ' ' LEU . 4.2 mm? . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.301 -0.629 . . . . 1.0 109.301 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.413 ' CD1' ' N ' ' A' ' 66' ' ' PHE . 0.1 OUTLIER -119.88 151.35 39.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 1.0 111.044 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 117' ' ' THR . 0.2 OUTLIER -111.39 -175.97 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 1.0 109.292 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.876 ' HB2' ' HB3' ' A' ' 88' ' ' LEU . . . -68.14 133.35 48.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 1.0 109.34 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.647 ' HB2' HG22 ' A' ' 117' ' ' THR . 14.9 tp -101.62 -81.66 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 1.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.437 ' N ' ' HG ' ' A' ' 69' ' ' LEU . 9.2 m-85 -99.26 163.95 12.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 1.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.4 168.02 20.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.16 . . . . 1.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.618 ' CE2' ' O ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -104.78 153.17 21.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 1.0 110.984 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 84.1 t -119.1 139.98 44.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 1.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -45.58 147.71 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 1.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.531 ' CB ' HG21 ' A' ' 79' ' ' THR . 0.3 OUTLIER -149.0 170.02 19.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 1.0 109.965 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 77' ' ' ASP . . . -96.17 -82.9 1.64 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.545 1.153 . . . . 1.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 78' ' ' ASN . 10.3 p-10 -46.04 170.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 0.765 . . . . 1.0 109.318 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 77' ' ' ASP . 7.8 m-80 -39.3 110.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 1.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.547 HG23 ' N ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -142.54 174.02 11.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 1.0 110.395 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.963 HD22 ' CG1' ' A' ' 82' ' ' ILE . 1.0 OUTLIER -132.12 117.35 18.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 1.0 109.31 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.1 m -97.68 109.37 22.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 1.0 110.028 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.963 ' CG1' HD22 ' A' ' 80' ' ' LEU . 1.2 mt -136.44 175.02 11.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 1.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.52 ' H ' HG22 ' A' ' 82' ' ' ILE . 5.2 m -123.61 157.93 32.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 1.0 110.376 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.49 ' HG2' ' N ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -68.39 -177.36 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 1.0 109.324 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.49 ' N ' ' HG2' ' A' ' 84' ' ' LYS . . . 34.93 44.01 0.46 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.499 1.124 . . . . 1.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.44 ' OE2' ' NZ ' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -136.46 175.07 9.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 0.738 . . . . 1.0 110.318 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -69.29 70.3 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 1.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.876 ' HB3' ' HB2' ' A' ' 68' ' ' ALA . 0.2 OUTLIER -128.36 102.09 6.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 1.0 109.242 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 14.5 mtt-85 -136.59 141.36 43.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 1.0 110.288 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.715 ' CG2' HD12 ' A' ' 116' ' ' ILE . 7.3 t -68.09 114.91 5.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 1.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.4 mt -115.72 4.48 14.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 1.0 109.259 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -148.44 155.88 26.61 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.557 1.16 . . . . 1.0 111.016 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -134.53 156.55 48.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 1.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.621 ' ND2' ' CZ3' ' A' ' 110' ' ' TRP . 0.6 OUTLIER -69.63 -74.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 1.0 109.264 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.524 ' CG ' ' O ' ' A' ' 94' ' ' ASN . 1.0 OUTLIER 165.69 -67.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 1.0 109.635 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.482 ' H ' ' ND2' ' A' ' 96' ' ' ASN . 1.6 p30 -65.81 -52.36 51.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 1.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 134.26 61.01 0.07 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.447 1.092 . . . . 1.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -117.35 -61.01 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 1.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.587 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 9.1 m95 -131.6 172.8 11.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 1.0 107.998 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 82.2 m -135.71 140.03 44.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 1.0 108.301 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -76.42 133.83 39.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 1.0 110.263 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.561 ' HB3' ' CG1' ' A' ' 111' ' ' VAL . . . -120.43 162.97 18.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.157 . . . . 1.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.441 ' CG ' ' HG3' ' A' ' 108' ' ' GLN . 1.8 mt-30 -134.45 143.1 47.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.08 . . . . 1.0 110.312 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.84 ' CG2' HD21 ' A' ' 80' ' ' LEU . 0.7 OUTLIER -104.71 156.88 17.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 1.0 110.398 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.44 ' NZ ' ' OE2' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -37.97 -45.62 0.9 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 1.0 109.292 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -141.96 65.84 1.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 1.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 167.13 -172.33 42.15 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.494 1.121 . . . . 1.0 110.981 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.441 ' HG3' ' CG ' ' A' ' 103' ' ' GLN . 0.8 OUTLIER -151.96 -176.44 5.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 0.767 . . . . 1.0 110.323 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.42 ' CA ' HD12 ' A' ' 80' ' ' LEU . . . 160.01 179.91 35.11 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 1.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.621 ' CZ3' ' ND2' ' A' ' 94' ' ' ASN . 12.4 m95 -104.38 151.01 24.0 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.021 -1.103 . . . . 1.0 108.021 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.561 ' CG1' ' HB3' ' A' ' 102' ' ' ALA . 0.9 OUTLIER -152.88 145.65 17.4 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 1.0 109.297 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.587 ' HD3' ' CZ3' ' A' ' 99' ' ' TRP . 18.2 Cg_endo -75.01 161.49 38.67 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.529 1.805 . . . . 1.0 110.987 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.639 ' HA ' HD11 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -75.33 -29.65 60.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 1.0 110.018 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -80.29 4.3 18.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 1.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.587 ' CD1' ' HG2' ' A' ' 112' ' ' PRO . 0.0 OUTLIER -96.71 -12.48 23.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 1.0 111.014 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.715 HD12 ' CG2' ' A' ' 90' ' ' VAL . 0.1 OUTLIER -121.83 171.52 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 1.0 109.312 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.647 HG22 ' HB2' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -134.34 148.54 68.1 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 1.0 110.386 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 117' ' ' THR . 18.3 Cg_endo -74.97 167.16 27.67 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.479 1.778 . . . . 1.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.545 ' O ' HG12 ' A' ' 119' ' ' VAL . 79.3 t -97.89 4.55 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 1.0 109.334 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 117.014 -1.47 . . . . 1.0 109.982 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.604 ' O ' HG23 ' A' ' 119' ' ' VAL . 3.0 mm? . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.314 -0.625 . . . . 1.0 109.314 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.571 ' CD2' ' HB3' ' A' ' 118' ' ' PRO . 3.2 m-85 -116.31 160.94 19.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 1.0 110.955 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.601 HG22 HG22 ' A' ' 119' ' ' VAL . 0.0 OUTLIER -129.67 141.88 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 1.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.855 ' HA ' HG23 ' A' ' 116' ' ' ILE . . . -69.76 134.2 48.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 1.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.458 ' CD1' HG21 ' A' ' 117' ' ' THR . 0.8 OUTLIER -90.44 -57.11 2.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 1.0 109.252 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -103.76 166.74 10.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 1.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -78.3 -173.99 3.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 1.0 109.284 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.61 ' CE1' ' HA ' ' A' ' 81' ' ' SER . 0.0 OUTLIER -102.53 158.0 16.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 1.0 111.013 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 75' ' ' SER . 53.4 t -135.35 110.43 11.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.493 1.121 . . . . 1.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -48.07 94.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 1.0 109.325 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 73' ' ' VAL . 0.2 OUTLIER -150.5 103.82 3.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 1.0 110.011 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 128.66 173.94 13.58 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.493 1.121 . . . . 1.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -112.8 52.01 0.8 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 1.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 168.01 41.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 1.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.609 HG23 ' N ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -104.55 176.84 5.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 1.0 110.377 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.884 HD12 ' C ' ' A' ' 108' ' ' GLN . 3.7 tt -135.85 119.94 17.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 1.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.61 ' HA ' ' CE1' ' A' ' 72' ' ' PHE . 20.1 m -71.88 110.52 6.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 1.0 109.999 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.97 HD12 HD11 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -133.95 157.69 42.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 1.0 109.322 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -113.05 148.6 34.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 1.0 110.455 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -58.07 -175.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 1.0 109.292 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 84' ' ' LYS . . . 34.09 38.73 0.11 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 1.0 111.037 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.401 ' HG2' ' NZ ' ' A' ' 105' ' ' LYS . 2.6 tt0 -126.25 174.1 8.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 1.0 110.249 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.403 ' HE2' ' NH2' ' A' ' 89' ' ' ARG . 0.1 OUTLIER -69.11 80.83 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 1.0 109.328 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.97 HD11 HD12 ' A' ' 82' ' ' ILE . 2.7 tt -129.26 102.5 6.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 1.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.403 ' NH2' ' HE2' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -135.08 142.05 46.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 1.0 110.336 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.488 ' HB ' ' CD1' ' A' ' 66' ' ' PHE . 69.9 t -69.56 142.77 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 1.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.674 HD12 ' HB2' ' A' ' 103' ' ' GLN . 3.5 mt -110.9 -45.99 3.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 1.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -148.2 163.68 28.93 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.537 1.148 . . . . 1.0 110.946 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.463 ' N ' ' CD1' ' A' ' 93' ' ' TYR . 0.2 OUTLIER -119.0 146.78 44.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 0.775 . . . . 1.0 110.988 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 95' ' ' HIS . 0.5 OUTLIER -71.05 171.68 10.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 1.0 109.287 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.454 ' N ' ' OD1' ' A' ' 94' ' ' ASN . 17.8 m170 -38.35 -80.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 1.0 109.646 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.449 ' ND2' ' OE2' ' A' ' 98' ' ' GLU . 3.5 p-10 -69.92 178.39 2.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 1.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -102.09 68.62 0.38 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.115 . . . . 1.0 111.016 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.449 ' OE2' ' ND2' ' A' ' 96' ' ' ASN . 23.3 mt-10 -119.92 -59.35 1.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 0.801 . . . . 1.0 110.267 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.452 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 19.4 m95 -128.26 157.56 40.57 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.018 -1.104 . . . . 1.0 108.018 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 25.4 m -135.45 143.36 45.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 1.0 108.316 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -79.87 131.3 35.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 1.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.744 ' HB2' HG11 ' A' ' 111' ' ' VAL . . . -119.46 160.59 22.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 1.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.674 ' HB2' HD12 ' A' ' 91' ' ' LEU . 20.4 tt0 -117.85 138.48 52.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 1.0 110.25 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 105' ' ' LYS . 23.4 m -104.52 150.84 24.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 1.0 110.417 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 104' ' ' THR . 0.0 OUTLIER -39.05 -44.85 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 1.0 109.296 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -142.1 62.24 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 1.0 109.245 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 164.25 174.49 34.09 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.46 1.1 . . . . 1.0 110.975 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.884 ' C ' HD12 ' A' ' 80' ' ' LEU . 2.6 mt-30 -151.52 149.49 29.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.761 . . . . 1.0 110.315 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -171.58 -169.56 34.59 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.499 1.124 . . . . 1.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 41.8 m95 -91.12 153.65 19.92 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.995 -1.113 . . . . 1.0 107.995 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.744 HG11 ' HB2' ' A' ' 102' ' ' ALA . 2.1 p -153.46 122.31 3.16 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 1.0 109.339 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.452 ' HD3' ' CZ3' ' A' ' 99' ' ' TRP . 18.4 Cg_endo -74.97 143.3 29.01 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.476 1.777 . . . . 1.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.45 ' O ' ' O ' ' A' ' 116' ' ' ILE . 0.4 OUTLIER -70.67 -25.03 62.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 1.0 110.037 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.421 ' ND2' ' HB2' ' A' ' 112' ' ' PRO . 2.6 p30 -69.56 -9.13 52.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 1.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.736 ' O ' HD13 ' A' ' 116' ' ' ILE . 1.7 m-85 -112.62 -18.57 12.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 1.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.855 HG23 ' HA ' ' A' ' 68' ' ' ALA . 3.8 mm -124.46 137.36 57.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 1.0 109.344 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.458 HG21 ' CD1' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -120.34 159.79 46.28 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 1.0 110.378 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.571 ' HB3' ' CD2' ' A' ' 66' ' ' PHE . 18.3 Cg_endo -75.01 178.83 6.75 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.474 1.776 . . . . 1.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 65' ' ' LEU . 82.8 t -102.75 4.58 10.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 1.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 C--O 1.25 1.092 0 CA-C-O 116.992 -1.48 . . . . 1.0 110.019 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.565 ' O ' HG23 ' A' ' 119' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.324 -0.621 . . . . 1.0 109.324 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.465 ' HA ' HG23 ' A' ' 119' ' ' VAL . 7.2 m-85 -123.65 161.34 25.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 1.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.566 ' O ' HG23 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -120.59 162.8 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 1.0 109.312 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.825 ' HB2' ' HB3' ' A' ' 88' ' ' LEU . . . -69.68 131.76 45.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 1.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.662 HD22 ' CE2' ' A' ' 70' ' ' TYR . 0.4 OUTLIER -83.35 -76.41 0.28 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 1.0 109.277 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.662 ' CE2' HD22 ' A' ' 69' ' ' LEU . 60.5 m-85 -111.01 172.89 6.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 1.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.3 p30 -85.32 177.39 7.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 1.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.584 ' CZ ' ' CG2' ' A' ' 79' ' ' THR . 26.6 t80 -105.97 159.13 16.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 1.0 111.034 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.778 HG13 ' N ' ' A' ' 74' ' ' ALA . 1.5 p -105.25 -151.91 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 1.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.778 ' N ' HG13 ' A' ' 73' ' ' VAL . . . -44.82 164.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 1.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 79.7 p -101.39 179.93 4.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 1.0 109.996 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 151.25 129.37 1.56 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.497 1.123 . . . . 1.0 110.97 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.4 t0 66.78 -165.28 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.767 . . . . 1.0 109.25 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -71.44 72.36 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 1.0 109.324 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.584 ' CG2' ' CZ ' ' A' ' 72' ' ' PHE . 0.4 OUTLIER -126.63 167.23 15.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 1.0 110.37 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.993 HD22 ' CD1' ' A' ' 82' ' ' ILE . 1.6 tt -136.33 119.3 16.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 1.0 109.337 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.532 ' C ' HD13 ' A' ' 82' ' ' ILE . 36.8 m -87.07 115.26 24.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 1.0 110.048 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.993 ' CD1' HD22 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -113.4 169.83 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 1.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.5 m -114.03 156.48 24.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 1.0 110.39 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.493 ' O ' ' C ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -57.96 178.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 1.0 109.287 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.493 ' C ' ' O ' ' A' ' 84' ' ' LYS . . . 30.18 51.31 0.18 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.111 . . . . 1.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -120.84 161.76 20.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 0.759 . . . . 1.0 110.29 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.61 86.81 7.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 1.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.825 ' HB3' ' HB2' ' A' ' 68' ' ' ALA . 1.9 tt -131.58 116.6 17.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 1.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.659 ' N ' HD23 ' A' ' 88' ' ' LEU . 50.3 mtt-85 -131.71 152.57 50.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 1.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.535 ' CG2' HD13 ' A' ' 116' ' ' ILE . 41.7 t -75.02 146.28 9.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 1.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.1 mt -114.08 -46.51 3.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 1.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -148.36 158.05 27.54 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.484 1.115 . . . . 1.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -111.66 168.5 9.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 0.8 . . . . 1.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.595 ' O ' ' CB ' ' A' ' 95' ' ' HIS . 0.7 OUTLIER -97.98 -47.16 5.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 1.0 109.292 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.6 ' CG ' ' N ' ' A' ' 96' ' ' ASN . 2.9 t-80 154.13 170.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 1.0 109.604 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.6 ' N ' ' CG ' ' A' ' 95' ' ' HIS . 46.7 t30 41.12 28.92 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 1.0 109.32 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.439 ' N ' ' C ' ' A' ' 95' ' ' HIS . . . 36.11 59.64 0.93 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.521 1.138 . . . . 1.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -102.66 -63.16 1.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 0.787 . . . . 1.0 110.334 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.525 ' CE2' ' HB3' ' A' ' 112' ' ' PRO . 21.3 m95 -133.1 149.72 52.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 1.0 107.977 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.538 ' O ' HG12 ' A' ' 111' ' ' VAL . 4.0 m -135.93 139.34 43.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 1.0 108.286 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -81.87 135.03 35.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 1.0 110.338 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -133.73 162.13 32.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 1.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.452 ' CB ' ' HG3' ' A' ' 108' ' ' GLN . 20.8 tt0 -116.86 140.35 49.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 1.0 110.298 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.818 HG21 HD12 ' A' ' 82' ' ' ILE . 31.0 p -114.31 152.58 31.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 1.0 110.427 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -18.02 36.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 1.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -88.05 -39.42 14.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 1.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -173.14 -137.17 2.32 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.528 1.142 . . . . 1.0 111.056 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.796 ' C ' HD12 ' A' ' 80' ' ' LEU . 1.0 OUTLIER -151.69 148.34 27.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 0.763 . . . . 1.0 110.286 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -169.72 -167.47 30.29 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.524 1.14 . . . . 1.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -93.81 157.58 16.07 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.972 -1.122 . . . . 1.0 107.972 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.797 HG13 HD11 ' A' ' 116' ' ' ILE . 7.2 p -154.88 131.71 6.0 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 1.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.525 ' HB3' ' CE2' ' A' ' 99' ' ' TRP . 18.5 Cg_endo -74.93 144.6 30.7 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.455 1.766 . . . . 1.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.3 t -73.17 -25.99 61.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 1.0 109.998 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.548 ' ND2' ' H ' ' A' ' 114' ' ' ASN . 0.5 OUTLIER -69.36 -8.64 48.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 1.0 109.266 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.403 ' CD2' ' HG2' ' A' ' 112' ' ' PRO . 2.1 m-85 -114.55 2.82 14.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 1.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.797 HD11 HG13 ' A' ' 111' ' ' VAL . 9.5 mt -118.71 155.99 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 1.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.518 ' CG2' ' HG ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -125.16 155.21 71.42 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 1.0 110.405 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 171.13 18.92 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.467 1.772 . . . . 1.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 65' ' ' LEU . 45.2 t -98.67 4.2 10.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 1.0 109.293 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.0 t . . . . . 0 C--O 1.25 1.121 0 CA-C-O 116.996 -1.478 . . . . 1.0 110.018 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.444 ' C ' HD13 ' A' ' 65' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.329 -0.619 . . . . 1.0 109.329 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.48 ' CD1' ' N ' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -117.81 147.6 42.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 1.0 110.981 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -122.38 148.28 26.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 1.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 1.063 ' HB2' HD22 ' A' ' 88' ' ' LEU . . . -78.12 97.36 5.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 1.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.722 HD13 HG23 ' A' ' 117' ' ' THR . 3.0 mp -84.73 -26.32 27.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 1.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -93.84 153.79 18.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 1.0 111.007 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.72 162.17 13.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 1.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.557 ' HB2' HD12 ' A' ' 82' ' ' ILE . 1.4 t80 -121.63 151.81 40.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 1.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 6.0 p -121.19 127.98 75.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 1.0 109.349 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.25 100.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 1.0 109.264 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 39.2 t -150.1 97.77 2.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 1.0 109.987 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 99.29 163.22 29.53 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.486 1.116 . . . . 1.0 111.028 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.452 ' O ' ' CB ' ' A' ' 78' ' ' ASN . 0.9 OUTLIER -89.18 157.13 18.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 0.778 . . . . 1.0 109.317 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.452 ' CB ' ' O ' ' A' ' 77' ' ' ASP . 3.1 m120 79.12 -0.47 2.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 1.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.531 HG23 ' N ' ' A' ' 80' ' ' LEU . 0.3 OUTLIER -86.35 172.48 10.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 1.0 110.444 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.588 HD22 HG13 ' A' ' 82' ' ' ILE . 1.4 tt -133.43 117.64 17.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 1.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.4 m -98.43 109.98 22.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 1.0 110.022 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.588 HG13 HD22 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -136.57 179.53 3.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 1.0 109.274 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.4 m -112.99 151.82 30.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 1.0 110.367 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.46 ' O ' ' C ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -61.73 179.67 0.24 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 1.0 109.285 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 84' ' ' LYS . . . 33.3 41.16 0.13 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 1.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -118.51 158.31 25.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 0.737 . . . . 1.0 110.323 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.81 90.07 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 1.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 1.063 HD22 ' HB2' ' A' ' 68' ' ' ALA . 1.3 tt -148.71 126.29 11.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 1.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.586 ' N ' HD23 ' A' ' 88' ' ' LEU . 67.8 mtm180 -135.83 155.41 50.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 1.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.473 ' CG1' ' HB3' ' A' ' 100' ' ' CYS . 2.7 t -68.44 140.9 18.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 1.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.526 HD13 ' NE2' ' A' ' 103' ' ' GLN . 1.5 mt -109.91 -40.96 4.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 1.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.36 175.29 25.0 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.515 1.134 . . . . 1.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.631 ' N ' ' CD1' ' A' ' 93' ' ' TYR . 0.2 OUTLIER -135.18 169.19 17.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 0.771 . . . . 1.0 110.996 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.512 ' OD1' ' O ' ' A' ' 99' ' ' TRP . 0.8 OUTLIER -91.73 62.27 4.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 1.0 109.306 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.427 ' C ' ' O ' ' A' ' 94' ' ' ASN . 10.9 p80 37.51 41.4 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 1.0 109.573 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 177.65 169.15 0.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 1.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -93.59 40.42 2.79 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 1.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.6 -58.74 2.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 0.764 . . . . 1.0 110.317 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.569 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 13.9 m95 -133.67 163.21 29.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 1.0 107.986 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.473 ' HB3' ' CG1' ' A' ' 90' ' ' VAL . 11.8 m -136.14 130.02 32.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 1.0 108.29 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -74.68 123.94 25.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 1.0 110.316 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.406 ' C ' ' OE1' ' A' ' 103' ' ' GLN . . . -112.67 157.9 20.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 1.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.526 ' NE2' HD13 ' A' ' 91' ' ' LEU . 9.9 mp0 -135.08 138.32 43.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 1.0 110.298 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.28 162.93 12.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 1.0 110.416 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -43.89 -62.56 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 1.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 16.0 m-20 -121.03 50.96 1.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 1.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -174.52 162.44 32.62 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.47 1.106 . . . . 1.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.43 ' CG ' ' HG3' ' A' ' 103' ' ' GLN . 0.3 OUTLIER -150.45 151.53 32.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 0.759 . . . . 1.0 110.231 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -179.21 173.59 45.64 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.494 1.121 . . . . 1.0 110.973 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.472 ' C ' ' CG1' ' A' ' 111' ' ' VAL . 5.6 m95 -95.53 152.38 18.48 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.045 -1.094 . . . . 1.0 108.045 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.477 HG23 ' CD1' ' A' ' 116' ' ' ILE . 0.8 OUTLIER -152.46 145.66 17.63 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 1.0 109.254 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.569 ' HD3' ' CZ3' ' A' ' 99' ' ' TRP . 18.4 Cg_endo -74.97 144.92 30.94 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 1.0 111.033 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.416 ' O ' ' O ' ' A' ' 116' ' ' ILE . 0.0 OUTLIER -59.33 -15.59 17.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 1.0 109.993 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.05 -30.56 66.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 1.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.566 ' CD1' ' HG2' ' A' ' 112' ' ' PRO . 3.0 m-85 -76.51 -19.03 58.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 1.0 111.038 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.477 ' CD1' HG23 ' A' ' 111' ' ' VAL . 0.0 OUTLIER -116.77 118.6 59.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 1.0 109.308 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.722 HG23 HD13 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -114.78 150.19 43.62 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 1.0 110.438 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 117' ' ' THR . 18.3 Cg_endo -74.96 165.49 31.23 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.539 1.81 . . . . 1.0 111.027 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.502 ' O ' HG12 ' A' ' 119' ' ' VAL . 59.6 t -91.73 4.76 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 1.0 109.267 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 9.3 m . . . . . 0 C--O 1.25 1.104 0 CA-C-O 116.998 -1.477 . . . . 1.0 109.984 179.961 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.713 ' O ' HG23 ' A' ' 119' ' ' VAL . 3.7 mm? . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.328 -0.619 . . . . 1.0 109.328 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.504 ' N ' ' CD1' ' A' ' 66' ' ' PHE . 3.5 m-85 -117.87 167.21 11.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 1.0 110.979 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.624 ' O ' HG23 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -127.75 147.62 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 1.0 109.309 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.586 ' HB2' HD22 ' A' ' 88' ' ' LEU . . . -70.34 112.28 6.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 1.0 109.333 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.478 ' HB2' ' CG2' ' A' ' 117' ' ' THR . 12.4 tp -90.74 -80.8 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 1.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.437 ' N ' ' HG ' ' A' ' 69' ' ' LEU . 12.9 m-85 -72.84 162.21 29.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 1.0 111.045 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.417 ' O ' ' CE1' ' A' ' 115' ' ' TYR . 2.8 p-10 -90.77 172.21 8.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 1.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.555 ' CE1' HG23 ' A' ' 79' ' ' THR . 14.7 t80 -129.1 157.36 41.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 1.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.509 ' N ' ' CD1' ' A' ' 72' ' ' PHE . 67.5 t -129.74 140.4 49.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 1.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.48 142.41 57.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 1.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.6 p -149.73 -67.41 0.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.113 . . . . 1.0 110.008 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -96.67 -179.98 34.63 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.479 1.112 . . . . 1.0 110.973 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -66.61 -61.38 2.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 0.759 . . . . 1.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -81.4 89.56 6.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 1.0 109.263 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.555 HG23 ' CE1' ' A' ' 72' ' ' PHE . 0.5 OUTLIER -150.03 167.72 25.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 1.0 110.431 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.961 HD21 HG21 ' A' ' 104' ' ' THR . 1.2 tt -135.4 117.31 15.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 1.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.1 m -103.57 110.32 22.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.171 . . . . 1.0 110.002 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.639 ' H ' HD12 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -127.57 -173.54 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 1.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.1 m -107.64 166.38 10.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 1.0 110.332 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -75.98 165.08 25.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.421 1.076 . . . . 1.0 109.274 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 37.65 30.2 0.06 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.486 1.116 . . . . 1.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.498 ' OE2' ' CE ' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -91.59 165.6 13.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 0.776 . . . . 1.0 110.288 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.26 85.92 3.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 1.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.791 HD23 ' C ' ' A' ' 88' ' ' LEU . 1.8 tt -150.37 125.74 10.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 1.0 109.369 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.475 ' N ' HD23 ' A' ' 88' ' ' LEU . 31.4 mtt180 -135.2 144.43 46.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 1.0 110.26 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.463 ' CG1' ' HB3' ' A' ' 100' ' ' CYS . 12.1 t -71.62 127.96 34.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 1.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.74 HD12 HE22 ' A' ' 103' ' ' GLN . 3.1 mt -108.23 -30.59 8.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 1.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -131.25 166.37 22.83 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.502 1.126 . . . . 1.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -127.93 178.98 5.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 0.76 . . . . 1.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.666 ' ND2' ' CZ3' ' A' ' 110' ' ' TRP . 0.5 OUTLIER -86.17 -179.5 6.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.162 . . . . 1.0 109.352 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.431 ' CD2' ' H ' ' A' ' 95' ' ' HIS . 6.2 p80 -88.15 -42.7 12.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 1.0 109.582 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 57.1 m-20 -94.85 16.31 16.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.579 1.175 . . . . 1.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 50.25 66.32 2.43 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.5 1.125 . . . . 1.0 110.984 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -120.99 -49.01 2.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 1.0 110.331 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.548 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 7.8 m95 -127.87 175.08 8.62 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.986 -1.116 . . . . 1.0 107.986 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.463 ' HB3' ' CG1' ' A' ' 90' ' ' VAL . 18.2 m -136.18 139.42 42.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 1.0 108.305 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -88.56 130.67 35.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 1.0 110.264 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.711 ' HB3' HG11 ' A' ' 111' ' ' VAL . . . -135.16 164.11 28.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 1.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.74 HE22 HD12 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -120.8 173.8 6.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 1.0 110.283 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.961 HG21 HD21 ' A' ' 80' ' ' LEU . 1.5 p -135.11 155.0 51.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 1.0 110.414 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.498 ' CE ' ' OE2' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -40.17 -35.64 0.42 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 1.0 109.342 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -149.35 68.18 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 1.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' A' ' 104' ' ' THR . . . 157.73 161.02 10.58 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.504 1.127 . . . . 1.0 110.962 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.462 ' HG3' ' CG ' ' A' ' 103' ' ' GLN . 31.6 tt0 -152.25 147.36 26.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 0.748 . . . . 1.0 110.263 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.78 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -177.38 -167.08 35.16 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.489 1.118 . . . . 1.0 111.004 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.666 ' CZ3' ' ND2' ' A' ' 94' ' ' ASN . 37.1 m95 -87.14 150.56 23.89 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.017 -1.105 . . . . 1.0 108.017 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.711 HG11 ' HB3' ' A' ' 102' ' ' ALA . 1.0 OUTLIER -147.59 129.49 7.48 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 1.0 109.289 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.548 ' HD3' ' CZ3' ' A' ' 99' ' ' TRP . 18.3 Cg_endo -74.98 142.04 27.45 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 1.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 116' ' ' ILE . 1.9 t -75.57 -24.0 56.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 1.0 110.037 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -69.6 -8.78 50.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 1.0 109.277 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.417 ' CE1' ' O ' ' A' ' 71' ' ' ASP . 1.0 OUTLIER -108.17 -17.58 13.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 1.0 111.012 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.624 HG23 ' O ' ' A' ' 67' ' ' VAL . 11.8 mt -114.69 147.48 18.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 1.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.478 ' CG2' ' HB2' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -124.25 159.26 57.93 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 1.0 110.41 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.448 ' HA ' ' HA ' ' A' ' 66' ' ' PHE . 18.3 Cg_endo -74.99 173.18 14.95 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.492 1.785 . . . . 1.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 65' ' ' LEU . 97.7 t -77.8 -111.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 1.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.647 ' N ' HG12 ' A' ' 119' ' ' VAL . 83.6 p . . . . . 0 C--O 1.25 1.094 0 CA-C-O 116.966 -1.493 . . . . 1.0 109.958 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.409 ' N ' HD22 ' A' ' 65' ' ' LEU . 3.5 mm? . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.33 -0.618 . . . . 1.0 109.33 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.494 ' N ' ' CD1' ' A' ' 66' ' ' PHE . 3.9 m-85 -116.9 162.19 18.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 1.0 110.992 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -128.13 142.24 44.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 1.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.686 ' HB2' ' HB3' ' A' ' 88' ' ' LEU . . . -70.44 142.12 52.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 1.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.636 HD12 ' CG2' ' A' ' 117' ' ' THR . 0.5 OUTLIER -98.51 -59.0 1.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 1.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -109.72 167.92 9.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 1.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.468 ' N ' ' OD1' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -86.55 178.12 7.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 1.0 109.286 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.537 ' CG ' ' O ' ' A' ' 80' ' ' LEU . 6.3 t80 -119.12 157.22 28.32 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.46 1.1 . . . . 1.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.7 t -118.31 143.76 28.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 1.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.75 103.99 1.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 1.0 109.344 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.6 t -150.06 124.59 9.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 1.0 109.987 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.87 -157.3 25.14 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.462 1.101 . . . . 1.0 111.019 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.69 -68.71 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.758 . . . . 1.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -76.99 83.25 3.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 1.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.496 HG23 ' CE1' ' A' ' 72' ' ' PHE . 0.3 OUTLIER -136.91 169.89 17.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 1.0 110.378 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.783 HD22 HD12 ' A' ' 82' ' ' ILE . 1.2 tt -135.01 117.8 16.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 1.0 109.332 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.8 m -95.03 107.43 19.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 1.0 109.996 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.783 HD12 HD22 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -120.74 169.91 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 1.0 109.334 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.4 m -114.59 161.51 17.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 1.0 110.371 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.555 ' O ' ' C ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -60.57 179.56 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 1.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.555 ' C ' ' O ' ' A' ' 84' ' ' LYS . . . 22.47 58.54 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.455 1.097 . . . . 1.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -125.65 152.59 45.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 1.0 110.282 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.402 ' HG3' ' NH2' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -69.32 81.48 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 1.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.686 ' HB3' ' HB2' ' A' ' 68' ' ' ALA . 1.8 tt -122.03 117.64 26.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 1.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.402 ' NH2' ' HG3' ' A' ' 87' ' ' LYS . 4.4 mtt85 -133.77 140.08 46.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 1.0 110.323 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.899 HG11 ' CE2' ' A' ' 93' ' ' TYR . 54.0 t -69.28 123.72 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 1.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.6 mt -105.06 -29.81 10.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 1.0 109.337 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -129.86 157.23 21.79 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.484 1.115 . . . . 1.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.899 ' CE2' HG11 ' A' ' 90' ' ' VAL . 1.1 m-85 -142.03 147.41 36.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.766 . . . . 1.0 111.021 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.574 ' ND2' ' O ' ' A' ' 99' ' ' TRP . 7.4 p30 -71.16 -151.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 1.0 109.273 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.465 ' N ' ' OD1' ' A' ' 94' ' ' ASN . 18.6 t-160 -121.71 -47.52 2.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 1.0 109.629 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.581 ' O ' ' C ' ' A' ' 97' ' ' GLY . 37.6 m-80 -84.72 45.2 1.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 1.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.581 ' C ' ' O ' ' A' ' 96' ' ' ASN . . . 19.55 56.64 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.501 1.125 . . . . 1.0 111.047 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 96' ' ' ASN . 0.6 OUTLIER -105.84 -59.61 1.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 0.782 . . . . 1.0 110.297 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.574 ' O ' ' ND2' ' A' ' 94' ' ' ASN . 13.5 m95 -136.79 154.03 50.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 1.0 108.007 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.566 ' HB3' ' CD1' ' A' ' 93' ' ' TYR . 0.9 OUTLIER -122.13 140.24 52.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 1.0 108.247 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -83.66 136.97 34.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 1.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -132.47 160.61 35.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 1.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -123.34 150.31 43.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 1.0 110.286 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.611 ' OG1' HD21 ' A' ' 80' ' ' LEU . 3.1 m -104.65 160.65 14.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 1.0 110.379 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 104' ' ' THR . 5.2 tptp -39.34 -53.61 1.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 1.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -133.97 55.03 1.92 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 1.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 178.87 -176.27 47.87 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.521 1.138 . . . . 1.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -150.39 179.32 8.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 0.781 . . . . 1.0 110.344 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 155.48 -179.99 31.03 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.541 1.151 . . . . 1.0 110.986 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -95.49 159.59 14.92 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.004 -1.11 . . . . 1.0 108.004 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.411 ' O ' ' O ' ' A' ' 100' ' ' CYS . 4.9 p -158.47 129.94 3.91 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 1.0 109.328 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.543 ' HG3' ' CH2' ' A' ' 99' ' ' TRP . 18.4 Cg_endo -74.93 144.61 30.71 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 1.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 116' ' ' ILE . 0.3 OUTLIER -73.86 -10.8 60.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 1.0 110.025 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -71.12 -28.09 64.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 1.0 109.257 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -102.93 2.24 34.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 1.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.467 HD13 ' HA ' ' A' ' 68' ' ' ALA . 7.7 mm -126.7 147.72 31.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 1.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.636 ' CG2' HD12 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -130.59 156.62 79.46 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 1.0 110.391 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.405 ' HA ' ' CD2' ' A' ' 66' ' ' PHE . 18.4 Cg_endo -74.95 -179.37 4.91 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.502 1.791 . . . . 1.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.757 HG22 ' N ' ' A' ' 120' ' ' SER . 1.8 p -69.05 -103.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 1.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.757 ' N ' HG22 ' A' ' 119' ' ' VAL . 11.9 p . . . . . 0 C--O 1.25 1.097 0 CA-C-O 117.03 -1.462 . . . . 1.0 110.024 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.427 ' C ' HD13 ' A' ' 65' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.321 -0.622 . . . . 1.0 109.321 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.578 ' CD2' ' HB ' ' A' ' 90' ' ' VAL . 0.4 OUTLIER -115.6 153.72 30.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 1.0 111.005 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.506 ' CG1' HG22 ' A' ' 119' ' ' VAL . 0.8 OUTLIER -104.62 153.29 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 1.0 109.356 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.772 ' HB2' ' HB3' ' A' ' 88' ' ' LEU . . . -68.89 125.39 26.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 1.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.557 HD12 ' HB ' ' A' ' 117' ' ' THR . 0.2 OUTLIER -77.8 -77.66 0.15 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 1.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.402 ' CE1' HD22 ' A' ' 69' ' ' LEU . 4.8 m-85 -105.1 178.27 4.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 1.0 110.997 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.536 ' N ' ' OD1' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -77.93 176.22 9.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 1.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.443 ' HE2' HG23 ' A' ' 79' ' ' THR . 27.9 t80 -124.18 167.04 14.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 1.0 111.029 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 13.1 p -125.38 154.93 34.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 1.0 109.348 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.68 145.63 50.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 1.0 109.316 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.557 ' N ' HG21 ' A' ' 79' ' ' THR . 0.2 OUTLIER -150.24 162.96 39.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 1.0 109.999 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.408 ' O ' ' CG ' ' A' ' 77' ' ' ASP . . . -107.61 56.25 0.49 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.499 1.125 . . . . 1.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 78' ' ' ASN . 4.5 m-20 -166.86 85.47 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 0.75 . . . . 1.0 109.335 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 77' ' ' ASP . 7.6 m120 38.99 68.29 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 1.0 109.334 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.557 HG21 ' N ' ' A' ' 75' ' ' SER . 0.4 OUTLIER -134.0 160.12 38.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 1.0 110.4 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.943 HD13 ' O ' ' A' ' 108' ' ' GLN . 2.4 tt -136.36 121.2 18.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 1.0 109.338 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.1 m -67.76 110.81 3.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 1.0 110.012 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.499 ' CD1' HD12 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -119.81 152.62 22.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 1.0 109.342 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.3 m -111.12 160.61 16.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.09 . . . . 1.0 110.405 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.47 ' O ' ' C ' ' A' ' 85' ' ' GLY . 4.4 pttt -62.25 -176.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 1.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 84' ' ' LYS . . . 32.18 38.47 0.05 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.461 1.101 . . . . 1.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 84' ' ' LYS . 5.1 tp10 -116.27 155.99 27.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 0.753 . . . . 1.0 110.33 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.7 mttp -72.8 89.66 1.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 1.0 109.328 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.772 ' HB3' ' HB2' ' A' ' 68' ' ' ALA . 2.9 tt -129.44 113.14 14.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 1.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.419 ' N ' HD23 ' A' ' 88' ' ' LEU . 4.2 mtp85 -136.0 139.23 43.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 1.0 110.285 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.578 ' HB ' ' CD2' ' A' ' 66' ' ' PHE . 92.9 t -71.33 111.05 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 1.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.691 HD13 ' CD ' ' A' ' 103' ' ' GLN . 0.8 OUTLIER -113.7 -7.84 13.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 1.0 109.29 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -153.48 168.29 32.09 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.469 1.106 . . . . 1.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -131.5 176.99 7.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 0.755 . . . . 1.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.492 ' ND2' ' CZ3' ' A' ' 110' ' ' TRP . 0.5 OUTLIER -78.08 165.6 23.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 1.0 109.341 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -91.21 41.73 1.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 1.0 109.616 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -168.8 -53.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 1.0 109.334 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 124.99 55.95 0.17 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.519 1.137 . . . . 1.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.504 ' CG ' ' N ' ' A' ' 99' ' ' TRP . 12.6 pt-20 -120.04 -47.83 2.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.756 . . . . 1.0 110.282 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.564 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 8.0 m95 -133.02 174.54 10.25 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.996 -1.113 . . . . 1.0 107.996 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 35.6 m -135.5 132.71 37.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 1.0 108.295 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -85.01 151.18 24.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.079 . . . . 1.0 110.325 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -135.22 171.48 14.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 1.0 109.334 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.691 ' CD ' HD13 ' A' ' 91' ' ' LEU . 51.2 mt-30 -105.08 135.55 46.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 1.0 110.27 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.52 ' O ' ' C ' ' A' ' 105' ' ' LYS . 1.2 p -104.2 176.69 5.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 1.0 110.382 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.52 ' C ' ' O ' ' A' ' 104' ' ' THR . 0.0 OUTLIER -30.81 -54.22 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 1.0 109.277 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 21.4 m-20 -150.16 58.71 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 1.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 178.97 -136.54 2.9 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.514 1.133 . . . . 1.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.943 ' O ' HD13 ' A' ' 80' ' ' LEU . 4.5 mt-30 -133.26 -168.85 2.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 0.787 . . . . 1.0 110.272 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.438 ' HA2' ' HB3' ' A' ' 80' ' ' LEU . . . -176.56 128.79 1.39 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.468 1.105 . . . . 1.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.492 ' CZ3' ' ND2' ' A' ' 94' ' ' ASN . 37.5 m95 -92.81 129.43 38.74 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.959 -1.126 . . . . 1.0 107.959 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.58 HG23 ' HD2' ' A' ' 112' ' ' PRO . 6.8 p -160.78 141.71 8.73 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 1.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.58 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.4 Cg_endo -74.94 148.31 35.41 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.455 1.766 . . . . 1.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.15 -12.25 49.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 1.0 110.025 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.35 -39.99 77.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 1.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -95.7 13.69 25.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 1.0 111.024 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.514 HD13 ' HA ' ' A' ' 68' ' ' ALA . 10.8 mm -126.71 154.28 36.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 1.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.557 ' HB ' HD12 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -133.54 138.95 32.36 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 1.0 110.425 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.455 ' HA ' ' CB ' ' A' ' 66' ' ' PHE . 18.4 Cg_endo -75.05 175.23 11.52 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.519 1.8 . . . . 1.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.552 ' O ' HG12 ' A' ' 119' ' ' VAL . 83.4 t -113.92 4.55 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 1.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 10.5 t . . . . . 0 C--O 1.25 1.104 0 CA-C-O 117.032 -1.461 . . . . 1.0 109.998 -179.98 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.729 ' O ' HG23 ' A' ' 119' ' ' VAL . 4.3 mm? . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.343 -0.614 . . . . 1.0 109.343 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.559 ' N ' ' CD1' ' A' ' 66' ' ' PHE . 0.8 OUTLIER -108.19 158.66 17.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 1.0 111.006 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.613 ' O ' HG23 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -126.25 156.44 36.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 1.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.989 ' HB2' ' CD2' ' A' ' 88' ' ' LEU . . . -79.3 88.67 4.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 1.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 1.06 HD13 HG23 ' A' ' 117' ' ' THR . 0.3 OUTLIER -69.89 -44.98 68.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 1.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -103.7 165.5 11.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 1.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.53 156.24 20.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 1.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.755 ' CE1' ' HB2' ' A' ' 74' ' ' ALA . 12.1 t80 -138.15 117.92 13.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 1.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.415 ' O ' HG13 ' A' ' 73' ' ' VAL . 9.7 p -135.12 58.59 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 1.0 109.244 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.755 ' HB2' ' CE1' ' A' ' 72' ' ' PHE . . . -75.17 163.98 26.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 1.0 109.256 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.12 93.31 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 1.0 109.999 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -169.77 -131.81 1.37 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.505 1.128 . . . . 1.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -64.14 -167.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 0.755 . . . . 1.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -43.06 101.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 1.0 109.317 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.574 HG21 ' HB3' ' A' ' 74' ' ' ALA . 0.6 OUTLIER -147.49 158.1 43.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 1.0 110.423 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.924 HD22 ' CD1' ' A' ' 82' ' ' ILE . 1.7 tt -135.85 117.45 14.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 1.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 48.9 m -81.22 112.91 18.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 1.0 110.041 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.924 ' CD1' HD22 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -107.72 168.55 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 1.0 109.272 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.2 m -115.75 156.73 25.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 1.0 110.417 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 86' ' ' GLU . 1.0 OUTLIER -65.36 -177.81 0.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 1.0 109.355 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.417 ' N ' ' HE2' ' A' ' 84' ' ' LYS . . . 37.58 29.83 0.05 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.502 1.126 . . . . 1.0 110.957 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 84' ' ' LYS . 0.7 OUTLIER -109.65 159.79 16.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 0.779 . . . . 1.0 110.296 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.486 ' H ' ' CD ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -90.11 78.19 6.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 1.0 109.318 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.989 ' CD2' ' HB2' ' A' ' 68' ' ' ALA . 0.1 OUTLIER -127.13 126.13 42.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 1.0 109.29 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.462 ' CB ' ' O ' ' A' ' 66' ' ' PHE . 7.2 mtt180 -132.02 153.54 50.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 1.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.469 ' CG2' ' HB2' ' A' ' 100' ' ' CYS . 5.0 t -69.52 156.66 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 1.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.485 HD12 ' HG2' ' A' ' 103' ' ' GLN . 3.7 mt -118.0 -53.06 2.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 1.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -139.31 -173.91 13.31 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.551 1.157 . . . . 1.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -137.6 152.48 49.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 1.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.443 ' OD1' ' O ' ' A' ' 99' ' ' TRP . 0.4 OUTLIER -75.67 57.14 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 1.0 109.318 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.496 ' CG ' ' O ' ' A' ' 95' ' ' HIS . 77.0 t60 37.97 44.41 0.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 1.0 109.58 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 176.74 166.83 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 1.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -91.74 61.33 2.74 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.437 1.086 . . . . 1.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.32 -63.04 1.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 1.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.531 ' CZ2' ' HB3' ' A' ' 112' ' ' PRO . 13.2 m95 -133.32 159.36 40.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 1.0 108.025 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.469 ' HB2' ' CG2' ' A' ' 90' ' ' VAL . 2.2 m -136.92 127.09 26.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 1.0 108.326 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.474 ' HG3' ' CD1' ' A' ' 110' ' ' TRP . 11.5 tt0 -70.44 131.52 44.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 1.0 110.31 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.551 ' HB3' ' CG1' ' A' ' 111' ' ' VAL . . . -135.2 159.3 41.96 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.506 1.129 . . . . 1.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.602 ' O ' HD12 ' A' ' 88' ' ' LEU . 0.9 OUTLIER -107.68 177.01 4.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 1.0 110.319 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.425 ' OG1' HD12 ' A' ' 82' ' ' ILE . 1.8 m -135.0 157.36 47.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 1.0 110.401 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 104' ' ' THR . 1.9 pttp -39.84 -56.07 1.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 1.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.95 55.77 1.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 1.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 104' ' ' THR . . . 176.17 168.86 36.95 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.465 1.103 . . . . 1.0 110.982 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.888 ' C ' HD12 ' A' ' 80' ' ' LEU . 2.7 mt-30 -151.14 147.81 27.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 0.744 . . . . 1.0 110.337 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 178.41 -164.19 32.66 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.121 . . . . 1.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.474 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 7.5 m95 -99.47 145.79 27.06 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.005 -1.109 . . . . 1.0 108.005 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.594 ' CG2' ' CD1' ' A' ' 116' ' ' ILE . 1.9 m -137.58 136.16 19.97 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 1.0 109.246 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.575 ' HD3' ' CZ ' ' A' ' 72' ' ' PHE . 18.2 Cg_endo -74.98 140.75 25.89 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.511 1.795 . . . . 1.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.461 ' O ' ' O ' ' A' ' 116' ' ' ILE . 0.1 OUTLIER -76.09 -12.91 60.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 1.0 109.98 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.542 ' OD1' ' CD1' ' A' ' 115' ' ' TYR . 30.3 p30 -73.04 -15.28 61.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 1.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.542 ' CD1' ' OD1' ' A' ' 114' ' ' ASN . 3.1 m-30 -111.19 -6.04 14.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 1.0 111.054 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.613 HG23 ' O ' ' A' ' 67' ' ' VAL . 9.2 mt -129.69 144.9 36.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 1.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 1.06 HG23 HD13 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -131.45 158.86 74.12 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 1.0 110.458 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.539 ' HB3' ' CD1' ' A' ' 66' ' ' PHE . 18.3 Cg_endo -75.01 170.31 20.69 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.504 1.792 . . . . 1.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 65' ' ' LEU . 97.5 t -86.21 4.58 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 1.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 34.3 t . . . . . 0 C--O 1.249 1.064 0 CA-C-O 116.972 -1.49 . . . . 1.0 110.03 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.588 ' O ' HG23 ' A' ' 119' ' ' VAL . 3.6 mm? . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.325 -0.62 . . . . 1.0 109.325 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.567 ' CD1' ' HB ' ' A' ' 90' ' ' VAL . 0.6 OUTLIER -122.35 157.67 31.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 1.0 111.014 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.409 ' N ' ' O ' ' A' ' 117' ' ' THR . 0.0 OUTLIER -116.55 142.12 31.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 1.0 109.298 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 1.006 ' HB2' HD22 ' A' ' 88' ' ' LEU . . . -70.09 137.97 51.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 1.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.587 HD12 ' CG2' ' A' ' 117' ' ' THR . 0.5 OUTLIER -95.79 -65.3 0.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 1.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -107.16 176.86 5.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 1.0 111.019 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -99.93 172.47 7.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 1.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.634 ' CE1' HG21 ' A' ' 79' ' ' THR . 17.5 t80 -111.67 159.47 18.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 1.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.546 ' N ' ' CD1' ' A' ' 72' ' ' PHE . 11.7 p -115.75 114.85 47.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 1.0 109.307 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -45.05 124.6 4.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 1.0 109.259 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.0 p -150.0 -65.79 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 1.0 109.992 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -82.21 -176.19 51.1 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.516 1.135 . . . . 1.0 111.033 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -100.54 -56.42 2.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 1.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -62.93 -13.78 38.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 1.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.634 HG21 ' CE1' ' A' ' 72' ' ' PHE . 0.3 OUTLIER -69.87 171.86 8.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 1.0 110.383 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.515 ' N ' HG23 ' A' ' 79' ' ' THR . 1.2 tt -135.54 117.84 15.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 1.0 109.277 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.4 m -89.52 110.34 21.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 1.0 109.976 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.76 HG22 ' OE2' ' A' ' 86' ' ' GLU . 0.1 OUTLIER -115.9 176.58 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 1.0 109.323 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.5 m -119.75 153.25 35.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 1.0 110.37 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -62.71 -178.17 0.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 1.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 84' ' ' LYS . . . 36.14 32.73 0.05 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.473 1.108 . . . . 1.0 111.037 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.76 ' OE2' HG22 ' A' ' 82' ' ' ILE . 15.9 tt0 -105.59 166.78 10.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 0.798 . . . . 1.0 110.342 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.4 pttp -90.79 68.31 6.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 1.0 109.265 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 1.006 HD22 ' HB2' ' A' ' 68' ' ' ALA . 1.0 OUTLIER -111.42 123.63 50.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 1.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 -135.09 144.86 47.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 1.0 110.289 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.586 HG21 ' SG ' ' A' ' 100' ' ' CYS . 2.9 t -75.13 116.23 17.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 1.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.4 mt -115.32 7.98 15.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 1.0 109.332 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -146.58 151.1 23.41 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.483 1.114 . . . . 1.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -142.99 144.51 32.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 0.748 . . . . 1.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.544 ' OD1' ' CG ' ' A' ' 95' ' ' HIS . 0.3 OUTLIER -85.15 175.01 9.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.422 1.076 . . . . 1.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.544 ' CG ' ' OD1' ' A' ' 94' ' ' ASN . 4.6 p-80 -38.74 -73.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 1.0 109.6 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.45 ' H ' ' CD2' ' A' ' 95' ' ' HIS . 0.7 OUTLIER -80.8 -173.26 4.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 1.0 109.289 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -105.42 68.14 0.25 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.47 1.107 . . . . 1.0 111.03 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.34 -52.13 2.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 0.774 . . . . 1.0 110.316 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.48 ' CH2' ' HG3' ' A' ' 112' ' ' PRO . 22.7 m95 -125.78 153.51 43.91 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.985 -1.117 . . . . 1.0 107.985 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.586 ' SG ' HG21 ' A' ' 90' ' ' VAL . 0.8 OUTLIER -135.73 139.4 43.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 1.0 108.248 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -77.68 132.06 38.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 1.0 110.312 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.433 ' HB2' HG11 ' A' ' 111' ' ' VAL . . . -127.9 159.61 34.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 1.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -121.95 157.15 31.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 1.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.461 HG22 ' H ' ' A' ' 106' ' ' ASN . 77.0 m -135.49 145.49 47.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 1.0 110.427 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.04 -16.54 19.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 1.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.461 ' H ' HG22 ' A' ' 104' ' ' THR . 3.0 t-20 -91.8 -39.37 11.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 1.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 104' ' ' THR . . . -169.9 -144.89 4.46 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.552 1.158 . . . . 1.0 110.983 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.413 ' C ' HD12 ' A' ' 80' ' ' LEU . 1.9 tt0 -150.34 163.76 37.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 0.743 . . . . 1.0 110.293 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.454 ' N ' HD12 ' A' ' 80' ' ' LEU . . . 172.91 -169.23 42.38 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.534 1.146 . . . . 1.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 30.9 m95 -93.21 150.49 20.46 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.993 -1.114 . . . . 1.0 107.993 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.433 HG11 ' HB2' ' A' ' 102' ' ' ALA . 0.9 OUTLIER -147.57 126.91 6.42 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 1.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.48 ' HG3' ' CH2' ' A' ' 99' ' ' TRP . 18.4 Cg_endo -75.0 140.05 24.99 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.453 1.765 . . . . 1.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 116' ' ' ILE . 39.1 t -72.91 -5.09 36.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 1.0 110.014 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -71.23 -34.12 70.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 1.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -97.23 9.44 42.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 1.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.427 HD11 ' CG2' ' A' ' 111' ' ' VAL . 8.6 mt -135.29 157.01 39.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 1.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.587 ' CG2' HD12 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -134.0 154.06 80.07 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 1.0 110.388 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.417 ' HA ' ' HA ' ' A' ' 66' ' ' PHE . 18.5 Cg_endo -74.95 179.46 6.04 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.461 1.769 . . . . 1.0 111.03 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.681 HG12 ' N ' ' A' ' 120' ' ' SER . 83.5 t -101.24 -107.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 1.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.681 ' N ' HG12 ' A' ' 119' ' ' VAL . 30.3 m . . . . . 0 C--O 1.25 1.1 0 CA-C-O 116.999 -1.477 . . . . 1.0 109.985 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.928 ' O ' HG23 ' A' ' 119' ' ' VAL . 4.1 mm? . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.318 -0.623 . . . . 1.0 109.318 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.565 ' CD1' ' HB3' ' A' ' 118' ' ' PRO . 1.2 m-85 -122.47 158.28 30.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 1.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -115.83 141.18 34.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 1.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 1.009 ' HB2' HD22 ' A' ' 88' ' ' LEU . . . -69.93 132.35 45.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 1.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.651 ' CD1' HG21 ' A' ' 117' ' ' THR . 1.1 mt -95.35 -77.04 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 1.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -86.26 148.24 25.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 1.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.1 p30 -72.43 -177.29 2.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.153 . . . . 1.0 109.334 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.499 ' CE1' HG23 ' A' ' 79' ' ' THR . 3.8 t80 -129.82 141.91 50.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 1.0 111.007 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.8 p -118.66 122.95 70.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 1.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.04 139.39 17.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 1.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.4 m -148.6 -66.64 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 1.0 109.962 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -111.51 172.79 15.21 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 1.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 78' ' ' ASN . 42.0 m-20 -58.76 173.3 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 1.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 77' ' ' ASP . 1.2 t-20 39.17 82.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 1.0 109.31 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.499 HG23 ' CE1' ' A' ' 72' ' ' PHE . 0.3 OUTLIER -149.28 169.72 20.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 1.0 110.434 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.616 HD12 ' N ' ' A' ' 109' ' ' GLY . 1.3 tt -135.39 117.76 15.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 1.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.0 m -99.26 111.79 24.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 1.0 109.997 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.562 ' CG1' HD22 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -128.89 -176.67 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 1.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.434 HG22 ' H ' ' A' ' 84' ' ' LYS . 16.1 m -108.43 171.68 7.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 1.0 110.43 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -75.88 165.05 25.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 1.0 109.327 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 37.49 31.02 0.06 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.497 1.123 . . . . 1.0 110.983 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 84' ' ' LYS . 4.4 tp10 -91.03 148.64 22.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 1.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -69.86 91.52 0.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 1.0 109.265 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 1.009 HD22 ' HB2' ' A' ' 68' ' ' ALA . 0.5 OUTLIER -145.6 130.04 17.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 1.0 109.285 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.6 mtp180 -135.13 149.96 50.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 1.0 110.322 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.473 ' CG1' ' HB3' ' A' ' 100' ' ' CYS . 5.1 t -69.78 134.82 29.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 1.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.2 mt -108.72 -36.7 6.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 1.0 109.334 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -132.06 172.85 20.9 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.495 1.122 . . . . 1.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.466 ' HH ' ' HE2' ' A' ' 66' ' ' PHE . 28.1 m-85 -131.25 171.97 12.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 0.757 . . . . 1.0 111.037 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.65 ' ND2' ' CH2' ' A' ' 110' ' ' TRP . 0.5 OUTLIER -80.91 137.27 36.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.108 . . . . 1.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.568 ' CD2' ' N ' ' A' ' 95' ' ' HIS . 0.0 OUTLIER -36.84 -69.33 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 1.0 109.565 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -59.73 -59.81 4.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 1.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 131.71 68.8 0.09 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.48 1.112 . . . . 1.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.564 ' HG3' ' CD1' ' A' ' 99' ' ' TRP . 1.2 tp10 -120.48 -58.5 1.84 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 0.763 . . . . 1.0 110.29 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.564 ' CD1' ' HG3' ' A' ' 98' ' ' GLU . 14.3 m0 -120.46 179.25 4.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 1.0 107.983 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.473 ' HB3' ' CG1' ' A' ' 90' ' ' VAL . 69.5 m -136.59 139.69 42.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 1.0 108.3 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -86.96 133.12 33.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 1.0 110.284 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.434 ' O ' ' CD1' ' A' ' 80' ' ' LEU . . . -135.69 158.85 43.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 1.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.443 ' HB3' ' CG ' ' A' ' 108' ' ' GLN . 2.9 pt20 -125.92 167.19 15.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 1.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.612 ' CG2' HD21 ' A' ' 80' ' ' LEU . 6.5 p -131.74 173.49 11.1 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.556 1.16 . . . . 1.0 110.4 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.49 ' C ' ' O ' ' A' ' 104' ' ' THR . 0.2 OUTLIER -32.9 -69.43 0.09 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 1.0 109.251 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -131.68 53.81 1.97 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 1.0 109.316 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.483 ' O ' ' N ' ' A' ' 104' ' ' THR . . . -169.08 128.53 1.7 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.532 1.145 . . . . 1.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.443 ' CG ' ' HB3' ' A' ' 103' ' ' GLN . 9.4 mp0 -122.12 157.68 30.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 0.769 . . . . 1.0 110.256 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.616 ' N ' HD12 ' A' ' 80' ' ' LEU . . . 169.24 -173.54 43.65 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.546 1.154 . . . . 1.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.65 ' CH2' ' ND2' ' A' ' 94' ' ' ASN . 28.7 m95 -87.96 160.99 17.67 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.009 -1.108 . . . . 1.0 108.009 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.42 HG21 HD11 ' A' ' 116' ' ' ILE . 3.6 p -159.83 131.49 4.06 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 1.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.527 ' HB3' ' CE2' ' A' ' 99' ' ' TRP . 18.3 Cg_endo -74.99 145.4 31.44 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.45 1.763 . . . . 1.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.16 -21.57 58.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 1.0 110.012 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.431 ' ND2' ' HB2' ' A' ' 112' ' ' PRO . 1.8 p30 -69.7 -12.94 62.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 1.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -104.87 -13.32 15.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 1.0 111.036 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.42 HD11 HG21 ' A' ' 111' ' ' VAL . 62.4 mt -117.07 149.98 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 1.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.651 HG21 ' CD1' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -128.9 147.22 63.76 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 1.0 110.398 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.565 ' HB3' ' CD1' ' A' ' 66' ' ' PHE . 18.3 Cg_endo -74.98 175.23 11.5 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.536 1.809 . . . . 1.0 110.994 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.928 HG23 ' O ' ' A' ' 65' ' ' LEU . 93.1 t -81.15 -111.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 1.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.646 ' N ' HG12 ' A' ' 119' ' ' VAL . 15.2 p . . . . . 0 C--O 1.25 1.094 0 CA-C-O 117.008 -1.472 . . . . 1.0 110.015 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.599 ' O ' HG23 ' A' ' 119' ' ' VAL . 3.3 mm? . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.313 -0.625 . . . . 1.0 109.313 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.501 ' HA ' HG23 ' A' ' 119' ' ' VAL . 7.1 m-85 -112.04 163.4 14.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 1.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.591 HG22 HG22 ' A' ' 119' ' ' VAL . 0.0 OUTLIER -121.79 147.8 25.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 1.0 109.319 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.974 ' HB2' HD22 ' A' ' 88' ' ' LEU . . . -71.09 123.98 23.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 1.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.663 HD12 HG22 ' A' ' 117' ' ' THR . 0.3 OUTLIER -80.46 -78.39 0.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 1.0 109.288 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -102.46 169.42 8.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 1.0 110.99 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.498 ' CG ' ' N ' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -86.09 169.41 13.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 1.0 109.345 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.608 ' CZ ' ' O ' ' A' ' 73' ' ' VAL . 0.3 OUTLIER -104.23 146.77 28.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 1.0 111.006 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.608 ' O ' ' CZ ' ' A' ' 72' ' ' PHE . 74.6 t -101.06 153.82 4.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 1.0 109.349 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -44.35 128.31 6.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 1.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 26.8 m -150.11 -174.74 4.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 1.0 109.997 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -148.56 170.78 29.02 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.532 1.145 . . . . 1.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 78' ' ' ASN . 23.7 m-20 57.87 107.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 0.784 . . . . 1.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 77' ' ' ASP . 4.4 p30 39.48 81.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 1.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.452 HG23 ' N ' ' A' ' 80' ' ' LEU . 0.3 OUTLIER -138.01 167.62 21.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 1.0 110.38 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.802 HD22 HG12 ' A' ' 82' ' ' ILE . 1.8 tt -135.9 118.32 15.77 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.479 1.112 . . . . 1.0 109.262 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.569 ' HA ' ' CD1' ' A' ' 72' ' ' PHE . 50.8 m -90.99 108.07 19.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 1.0 110.01 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.973 HD13 HD13 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -133.41 162.54 39.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 1.0 109.279 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.436 HG22 ' H ' ' A' ' 84' ' ' LYS . 6.1 m -105.58 172.86 6.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 1.0 110.409 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -75.39 163.43 27.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 1.0 109.301 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 37.55 30.9 0.06 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.517 1.136 . . . . 1.0 111.02 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 84' ' ' LYS . 1.9 tt0 -88.08 150.51 23.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 0.766 . . . . 1.0 110.295 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -76.3 83.99 3.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 1.0 109.327 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.974 HD22 ' HB2' ' A' ' 68' ' ' ALA . 1.2 tt -131.54 133.63 45.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 1.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' A' ' 66' ' ' PHE . 20.2 mmm-85 -135.01 139.93 45.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 1.0 110.286 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.477 HG11 ' CB ' ' A' ' 100' ' ' CYS . 3.2 t -77.33 118.04 23.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 1.0 109.341 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.3 mt -112.82 -6.31 13.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 1.0 109.28 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -125.87 145.8 15.9 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.471 1.107 . . . . 1.0 110.958 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -123.83 156.0 36.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 0.79 . . . . 1.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.482 ' ND2' ' H ' ' A' ' 99' ' ' TRP . 23.6 p-10 -105.89 171.49 7.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 1.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -135.25 20.56 3.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 1.0 109.595 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.54 ' ND2' ' N ' ' A' ' 97' ' ' GLY . 0.0 OUTLIER -101.93 -54.95 2.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 1.0 109.255 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.54 ' N ' ' ND2' ' A' ' 96' ' ' ASN . . . -142.87 -119.51 1.44 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.467 1.104 . . . . 1.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -121.95 68.03 0.92 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 0.759 . . . . 1.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.524 ' CH2' ' HG3' ' A' ' 112' ' ' PRO . 41.9 m95 -136.27 148.3 47.94 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.013 -1.106 . . . . 1.0 108.013 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.477 ' CB ' HG11 ' A' ' 90' ' ' VAL . 2.3 m -135.78 136.54 40.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 1.0 108.271 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -71.66 132.94 45.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 1.0 110.277 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.562 ' HB3' HD13 ' A' ' 80' ' ' LEU . . . -120.74 155.07 34.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 1.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -125.17 131.09 53.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 1.0 110.291 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.895 HG22 ' H ' ' A' ' 106' ' ' ASN . 7.6 m -106.26 139.84 40.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.078 . . . . 1.0 110.414 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -15.44 9.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 1.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.895 ' H ' HG22 ' A' ' 104' ' ' THR . 0.0 OUTLIER -96.3 -39.44 9.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 1.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.488 ' O ' ' O ' ' A' ' 104' ' ' THR . . . -160.8 -139.59 2.69 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.485 1.115 . . . . 1.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.403 ' C ' ' HG ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -150.86 174.15 13.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 0.75 . . . . 1.0 110.268 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.727 ' C ' HD12 ' A' ' 80' ' ' LEU . . . 167.4 -167.68 40.06 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.458 1.099 . . . . 1.0 111.028 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 15.8 m95 -107.67 153.76 22.45 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.985 -1.117 . . . . 1.0 107.985 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.442 HG12 ' O ' ' A' ' 100' ' ' CYS . 1.1 p -146.56 126.13 6.68 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 1.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.524 ' HG3' ' CH2' ' A' ' 99' ' ' TRP . 18.1 Cg_endo -75.04 151.42 39.31 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.486 1.782 . . . . 1.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.467 ' O ' ' O ' ' A' ' 116' ' ' ILE . 0.1 OUTLIER -72.56 -17.76 61.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 1.0 109.959 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.53 ' OD1' ' CD1' ' A' ' 115' ' ' TYR . 25.2 p30 -71.56 -16.91 62.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 1.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.737 ' O ' HD13 ' A' ' 116' ' ' ILE . 6.2 m-30 -114.16 -4.8 13.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 1.0 111.029 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.737 HD13 ' O ' ' A' ' 115' ' ' TYR . 8.6 mm -131.5 142.36 43.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 1.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.663 HG22 HD12 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -123.93 156.19 66.05 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 1.0 110.403 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.471 ' HB3' ' CD2' ' A' ' 66' ' ' PHE . 18.3 Cg_endo -74.99 178.78 6.81 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.56 1.821 . . . . 1.0 110.976 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 65' ' ' LEU . 66.9 t -109.17 4.72 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 1.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 88.7 p . . . . . 0 C--O 1.25 1.08 0 CA-C-O 116.984 -1.484 . . . . 1.0 110.006 -180.0 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.306 -0.628 . . . . 1.0 109.306 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.412 ' CD1' ' N ' ' A' ' 66' ' ' PHE . 16.4 m-85 -129.64 164.76 23.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 1.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -129.96 158.41 42.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 1.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.825 ' HB2' ' HB3' ' A' ' 88' ' ' LEU . . . -69.58 131.22 44.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 1.0 109.276 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.504 ' HG ' ' CG2' ' A' ' 117' ' ' THR . 0.3 OUTLIER -76.44 -72.44 0.33 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 1.0 109.324 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.464 ' CE2' HD22 ' A' ' 69' ' ' LEU . 53.7 m-85 -117.05 -179.28 3.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 1.0 111.052 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.68 161.35 29.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 1.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.983 ' CZ ' ' HB2' ' A' ' 74' ' ' ALA . 85.1 t80 -121.27 128.57 52.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 1.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.2 t -135.36 78.53 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 1.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.983 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . . . -75.55 -171.02 1.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 1.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.7 p -150.53 -46.51 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 1.0 110.004 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -64.63 176.39 10.96 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.532 1.145 . . . . 1.0 111.023 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.402 ' C ' ' CG ' ' A' ' 78' ' ' ASN . 0.6 OUTLIER -68.07 -176.23 0.68 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 0.742 . . . . 1.0 109.311 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.402 ' CG ' ' C ' ' A' ' 77' ' ' ASP . 1.0 OUTLIER 40.52 72.27 0.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 1.0 109.277 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.71 HG21 ' HB3' ' A' ' 74' ' ' ALA . 0.3 OUTLIER -148.42 156.9 43.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 1.0 110.388 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.85 HD12 ' C ' ' A' ' 108' ' ' GLN . 2.1 tt -133.7 115.58 14.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 1.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.0 m -78.18 109.51 12.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 1.0 110.05 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.789 HD12 ' HB3' ' A' ' 72' ' ' PHE . 0.4 OUTLIER -127.21 154.39 37.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 1.0 109.241 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.6 m -104.95 157.31 17.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 1.0 110.411 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.07 174.95 2.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 1.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 49.36 21.34 2.88 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.482 1.114 . . . . 1.0 110.971 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -110.5 172.32 6.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 0.753 . . . . 1.0 110.293 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.1 mttm -69.36 87.75 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 1.0 109.244 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.825 ' HB3' ' HB2' ' A' ' 68' ' ' ALA . 0.6 OUTLIER -137.63 110.06 7.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 1.0 109.317 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.88 144.97 51.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 1.0 110.331 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.651 HG13 ' SG ' ' A' ' 100' ' ' CYS . 39.3 t -71.0 121.59 21.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 1.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.616 HD12 ' HB3' ' A' ' 103' ' ' GLN . 2.1 mt -107.33 -25.25 11.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 1.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.401 ' O ' ' SG ' ' A' ' 100' ' ' CYS . . . -162.0 163.17 34.68 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.439 1.087 . . . . 1.0 111.007 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -119.53 -171.81 2.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 1.0 111.028 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.644 ' ND2' ' CZ3' ' A' ' 110' ' ' TRP . 0.6 OUTLIER -83.66 179.45 7.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 1.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -91.99 -45.09 8.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 1.0 109.554 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.524 ' H ' ' ND2' ' A' ' 96' ' ' ASN . 1.1 p30 -92.55 29.38 1.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 1.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 96' ' ' ASN . . . 37.21 68.21 0.38 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.457 1.098 . . . . 1.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.47 -52.9 2.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 1.0 110.299 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.583 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 7.4 m95 -127.93 -174.53 3.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 1.0 107.996 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.651 ' SG ' HG13 ' A' ' 90' ' ' VAL . 10.3 t -136.14 151.86 50.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 1.0 108.332 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -115.62 145.04 43.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 1.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.412 ' HB3' HD21 ' A' ' 88' ' ' LEU . . . -135.28 157.05 47.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 1.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.616 ' HB3' HD12 ' A' ' 91' ' ' LEU . 42.6 tt0 -105.26 143.99 32.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 1.0 110.287 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.458 ' O ' ' C ' ' A' ' 105' ' ' LYS . 53.5 m -103.47 164.56 11.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 1.0 110.358 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 104' ' ' THR . 6.9 mtpp -34.44 -45.01 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 1.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -149.68 64.44 1.0 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 1.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 166.91 -166.58 39.22 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.513 1.133 . . . . 1.0 111.031 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.85 ' C ' HD12 ' A' ' 80' ' ' LEU . 4.2 mt-30 -152.78 148.76 27.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 0.796 . . . . 1.0 110.237 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.463 ' HA3' ' CB ' ' A' ' 80' ' ' LEU . . . -143.55 179.31 21.09 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.479 1.112 . . . . 1.0 111.045 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.644 ' CZ3' ' ND2' ' A' ' 94' ' ' ASN . 21.0 m95 -114.5 143.54 44.79 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.024 -1.102 . . . . 1.0 108.024 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.861 HG13 HD11 ' A' ' 116' ' ' ILE . 3.1 p -160.18 134.31 5.19 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 1.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.583 ' HD3' ' CZ3' ' A' ' 99' ' ' TRP . 18.3 Cg_endo -75.02 147.81 34.35 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.477 1.778 . . . . 1.0 110.955 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.51 -14.49 19.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 1.0 109.999 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -69.26 -37.75 78.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 1.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.45 ' CD2' ' HG2' ' A' ' 112' ' ' PRO . 11.2 m-85 -94.93 4.87 53.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 1.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.861 HD11 HG13 ' A' ' 111' ' ' VAL . 11.1 mt -115.09 150.43 17.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 1.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.504 ' CG2' ' HG ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -128.81 157.9 74.03 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 1.0 110.399 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 178.49 7.18 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.487 1.783 . . . . 1.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.77 HG22 ' N ' ' A' ' 120' ' ' SER . 1.5 p -68.45 -101.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 1.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.77 ' N ' HG22 ' A' ' 119' ' ' VAL . 75.5 m . . . . . 0 C--O 1.249 1.076 0 CA-C-O 117.02 -1.467 . . . . 1.0 109.993 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.901 ' O ' HG23 ' A' ' 119' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.331 -0.618 . . . . 1.0 109.331 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.556 ' N ' HD13 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -120.53 146.59 46.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 1.0 110.999 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' A' ' 117' ' ' THR . 0.7 OUTLIER -104.83 153.67 6.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 1.0 109.324 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.959 ' HB2' HD22 ' A' ' 88' ' ' LEU . . . -69.88 129.13 38.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 1.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.679 HD12 ' CG2' ' A' ' 117' ' ' THR . 0.2 OUTLIER -87.93 -62.84 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 1.0 109.275 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -110.58 165.27 11.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 1.0 111.05 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -74.87 -169.93 0.99 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 1.0 109.345 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.657 ' HB2' HD12 ' A' ' 82' ' ' ILE . 1.0 OUTLIER -147.4 137.94 23.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 1.0 110.987 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 75' ' ' SER . 7.1 p -103.22 146.9 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 1.0 109.36 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.464 ' HB2' ' OG ' ' A' ' 81' ' ' SER . . . -70.45 60.08 0.2 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 1.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 73' ' ' VAL . 38.3 t -151.52 109.16 3.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 1.0 110.002 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 77' ' ' ASP . . . 156.15 43.19 0.02 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 1.0 110.958 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.442 ' O ' ' O ' ' A' ' 76' ' ' GLY . 0.2 OUTLIER 43.02 95.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 0.768 . . . . 1.0 109.335 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 61.18 96.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 1.0 109.276 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.643 HG23 ' N ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -148.64 179.04 8.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 1.0 110.376 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.659 HD12 ' C ' ' A' ' 108' ' ' GLN . 1.7 tt -131.9 120.05 22.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 1.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.464 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 8.7 m -87.16 111.85 21.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 1.0 109.986 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.657 HD12 ' HB2' ' A' ' 72' ' ' PHE . 0.1 OUTLIER -119.72 177.33 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 1.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.9 m -104.47 158.06 16.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 1.0 110.405 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -72.48 165.92 23.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 1.0 109.278 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 40.0 28.1 0.14 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.524 1.14 . . . . 1.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 84' ' ' LYS . 0.3 OUTLIER -97.07 175.19 6.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 0.792 . . . . 1.0 110.3 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.91 85.57 5.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 1.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.959 HD22 ' HB2' ' A' ' 68' ' ' ALA . 1.8 tt -143.02 119.72 11.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 1.0 109.332 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.699 ' HD3' HD11 ' A' ' 65' ' ' LEU . 9.1 mtt-85 -135.72 131.14 35.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 1.0 110.346 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.542 HG22 ' HB2' ' A' ' 102' ' ' ALA . 2.6 t -68.81 115.77 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 1.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.9 mt -118.99 14.13 13.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 1.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -141.33 145.08 15.38 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.495 1.122 . . . . 1.0 110.965 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -143.83 134.69 25.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 0.805 . . . . 1.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 99' ' ' TRP . 2.8 p30 -69.56 -168.05 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 1.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 96' ' ' ASN . 9.9 p-80 -85.43 -67.41 0.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 1.0 109.609 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.433 ' N ' ' OD1' ' A' ' 94' ' ' ASN . 75.4 m-80 -40.2 -70.06 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 1.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.428 ' CA ' HD21 ' A' ' 94' ' ' ASN . . . 123.79 38.3 0.54 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.505 1.128 . . . . 1.0 110.98 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -105.85 -35.75 7.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 0.738 . . . . 1.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.575 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 15.4 m95 -131.29 156.52 45.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 1.0 108.001 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.431 ' HB2' ' CG1' ' A' ' 90' ' ' VAL . 0.8 OUTLIER -135.56 137.61 42.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 1.0 108.303 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -79.76 140.36 36.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 1.0 110.315 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.64 ' HB2' HG11 ' A' ' 111' ' ' VAL . . . -128.48 156.06 43.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 1.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.4 ' HG2' ' NE2' ' A' ' 108' ' ' GLN . 5.2 mt-30 -121.48 129.5 52.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 1.0 110.351 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 36.8 p -129.05 164.38 23.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 1.0 110.385 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -68.82 -25.25 64.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 1.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 -73.31 -26.18 60.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.595 1.184 . . . . 1.0 109.27 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.427 ' C ' HD11 ' A' ' 80' ' ' LEU . . . 159.77 -146.32 12.59 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 1.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.659 ' C ' HD12 ' A' ' 80' ' ' LEU . 32.9 mt-30 -146.49 129.53 16.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 0.76 . . . . 1.0 110.267 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -153.45 -166.87 15.09 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.495 1.122 . . . . 1.0 111.034 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.409 ' CE3' ' HB3' ' A' ' 99' ' ' TRP . 51.2 m95 -90.31 157.01 17.86 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.011 -1.107 . . . . 1.0 108.011 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.64 HG11 ' HB2' ' A' ' 102' ' ' ALA . 4.0 p -160.31 124.44 2.05 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 1.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.575 ' HD3' ' CZ3' ' A' ' 99' ' ' TRP . 18.3 Cg_endo -74.94 146.06 32.45 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.463 1.77 . . . . 1.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.544 ' HA ' HD11 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -62.13 -15.47 45.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 1.0 110.008 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -76.98 -16.26 59.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 1.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -99.65 -4.83 30.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 1.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.879 HG22 ' HA ' ' A' ' 68' ' ' ALA . 2.0 pp -133.87 161.08 41.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 1.0 109.275 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.679 ' CG2' HD12 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -141.99 154.83 65.56 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 1.0 110.395 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 167.82 26.12 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.451 1.764 . . . . 1.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.901 HG23 ' O ' ' A' ' 65' ' ' LEU . 89.7 t -73.89 -110.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 1.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.638 ' N ' HG12 ' A' ' 119' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.114 0 CA-C-O 117.009 -1.472 . . . . 1.0 109.973 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.607 ' O ' HG23 ' A' ' 119' ' ' VAL . 4.3 mm? . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.318 -0.623 . . . . 1.0 109.318 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.476 ' CD1' ' N ' ' A' ' 66' ' ' PHE . 1.5 m-85 -115.84 158.1 23.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 1.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.461 ' HA ' ' O ' ' A' ' 88' ' ' LEU . 0.0 OUTLIER -129.28 139.71 51.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 1.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.757 ' HB2' ' HB3' ' A' ' 88' ' ' LEU . . . -68.0 138.01 55.55 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 1.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.666 ' CD1' HG21 ' A' ' 117' ' ' THR . 0.6 OUTLIER -91.71 -50.47 5.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 1.0 109.289 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -116.71 177.56 4.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 1.0 111.047 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -71.92 -176.22 1.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 1.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.655 ' CZ ' HG23 ' A' ' 79' ' ' THR . 0.3 OUTLIER -102.66 161.3 13.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 1.0 110.991 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.614 ' O ' ' CE1' ' A' ' 72' ' ' PHE . 61.6 t -135.16 154.46 36.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 1.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -44.56 164.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 1.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -148.28 -172.5 4.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 1.0 110.004 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -83.89 -129.72 1.73 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.49 1.119 . . . . 1.0 110.99 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 78' ' ' ASN . 12.1 t0 -71.18 59.5 0.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 0.752 . . . . 1.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.496 ' CB ' ' O ' ' A' ' 77' ' ' ASP . 5.5 p30 154.95 118.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 1.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.655 HG23 ' CZ ' ' A' ' 72' ' ' PHE . 0.6 OUTLIER -138.69 149.21 44.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 1.0 110.363 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.811 HD22 HG12 ' A' ' 82' ' ' ILE . 1.8 tt -136.08 114.96 12.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 1.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.6 m -79.58 104.23 10.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 1.0 109.983 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.926 ' HB ' HD11 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -135.07 157.15 40.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 1.0 109.283 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.5 m -121.77 153.22 38.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 1.0 110.405 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -62.38 -177.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 1.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 84' ' ' LYS . . . 33.49 51.63 0.57 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.46 1.1 . . . . 1.0 110.983 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -145.74 175.29 10.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 0.761 . . . . 1.0 110.37 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.52 84.25 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 1.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.926 HD11 ' HB ' ' A' ' 82' ' ' ILE . 0.1 OUTLIER -122.81 97.83 5.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 1.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.3 129.2 41.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 1.0 110.257 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.594 HG11 ' CE1' ' A' ' 93' ' ' TYR . 41.6 t -69.5 135.75 27.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 1.0 109.255 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.6 mt -110.77 -38.19 5.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 1.0 109.343 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -131.81 166.24 23.14 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.466 1.104 . . . . 1.0 110.986 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.594 ' CE1' HG11 ' A' ' 90' ' ' VAL . 9.0 m-85 -129.48 163.93 24.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 0.783 . . . . 1.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.482 ' OD1' ' N ' ' A' ' 97' ' ' GLY . 20.3 p-10 -80.88 -156.85 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 1.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.418 ' N ' ' CG ' ' A' ' 94' ' ' ASN . 0.2 OUTLIER -108.06 -31.96 7.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 1.0 109.616 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.542 ' O ' ' C ' ' A' ' 97' ' ' GLY . 18.8 t-20 -90.59 31.39 1.04 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 1.0 109.246 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.542 ' C ' ' O ' ' A' ' 96' ' ' ASN . . . 24.6 50.83 0.03 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.482 1.114 . . . . 1.0 110.982 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 96' ' ' ASN . 0.4 OUTLIER -122.51 -54.06 1.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 0.743 . . . . 1.0 110.259 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.549 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 16.8 m95 -107.44 160.37 15.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 1.0 108.036 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.513 ' SG ' ' CD2' ' A' ' 93' ' ' TYR . 55.3 m -136.01 139.23 42.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 1.0 108.272 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.402 ' OE2' ' O ' ' A' ' 109' ' ' GLY . 17.2 tp10 -77.18 128.03 33.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 1.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.738 ' HB3' ' CG1' ' A' ' 111' ' ' VAL . . . -117.89 165.13 14.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 1.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -127.55 147.06 50.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 1.0 110.277 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.727 HG22 ' H ' ' A' ' 106' ' ' ASN . 0.9 OUTLIER -104.54 146.85 28.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 1.0 110.383 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 104' ' ' THR . 0.0 OUTLIER -36.87 -38.11 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 1.0 109.285 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.727 ' H ' HG22 ' A' ' 104' ' ' THR . 5.2 m120 -146.86 53.18 1.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 1.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.405 ' C ' ' HB ' ' A' ' 104' ' ' THR . . . 177.02 -172.66 45.6 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.539 1.149 . . . . 1.0 110.961 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -150.33 176.72 10.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 1.0 110.306 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.721 ' C ' HD12 ' A' ' 80' ' ' LEU . . . 158.3 179.58 33.28 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.472 1.108 . . . . 1.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.414 ' C ' ' CG1' ' A' ' 111' ' ' VAL . 26.1 m95 -97.61 150.69 20.87 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.003 -1.11 . . . . 1.0 108.003 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.738 ' CG1' ' HB3' ' A' ' 102' ' ' ALA . 0.9 OUTLIER -149.59 132.97 8.47 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.155 . . . . 1.0 109.288 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.549 ' HD3' ' CZ3' ' A' ' 99' ' ' TRP . 18.3 Cg_endo -75.02 139.83 24.68 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.459 1.768 . . . . 1.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 116' ' ' ILE . 0.5 OUTLIER -75.6 -9.05 58.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 1.0 110.023 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -72.68 -24.57 61.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 1.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -99.16 -2.48 36.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 1.0 111.014 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.474 HD12 HG23 ' A' ' 111' ' ' VAL . 39.8 mt -124.73 150.66 29.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 1.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.666 HG21 ' CD1' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -131.99 157.89 76.99 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 1.0 110.417 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 175.6 11.03 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.535 1.808 . . . . 1.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 65' ' ' LEU . 50.5 t -99.18 4.24 10.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.428 1.08 . . . . 1.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 83.8 p . . . . . 0 C--O 1.251 1.136 0 CA-C-O 117.0 -1.476 . . . . 1.0 110.007 180.0 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.5 mm? . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.345 -0.613 . . . . 1.0 109.345 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.481 ' N ' ' CD1' ' A' ' 66' ' ' PHE . 0.2 OUTLIER -116.45 152.01 34.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 1.0 111.028 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 117' ' ' THR . 0.7 OUTLIER -118.22 146.08 23.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 1.0 109.325 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.723 ' HB2' HD22 ' A' ' 88' ' ' LEU . . . -66.24 129.35 39.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 1.0 109.262 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.663 HD12 ' HB ' ' A' ' 117' ' ' THR . 0.2 OUTLIER -75.55 -60.63 2.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 1.0 109.294 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -112.68 163.95 13.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 1.0 110.994 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 17.1 p30 -72.54 174.95 6.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 1.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.897 ' CE1' ' HB3' ' A' ' 74' ' ' ALA . 3.8 t80 -121.31 121.24 37.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 1.0 110.961 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.586 HG22 ' O ' ' A' ' 73' ' ' VAL . 7.9 p -135.09 23.87 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 1.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.897 ' HB3' ' CE1' ' A' ' 72' ' ' PHE . . . -75.29 176.02 7.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 1.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.6 t -150.14 171.8 16.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 1.0 109.966 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 77' ' ' ASP . . . 112.37 -140.34 16.18 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.464 1.103 . . . . 1.0 111.004 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 78' ' ' ASN . 1.8 p30 -52.21 -176.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 0.79 . . . . 1.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 77' ' ' ASP . 4.2 m-80 -38.73 129.01 1.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 1.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.494 HG23 ' CE1' ' A' ' 72' ' ' PHE . 0.5 OUTLIER -146.01 169.66 18.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 1.0 110.374 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.629 HD22 HG13 ' A' ' 82' ' ' ILE . 1.1 tt -134.02 116.37 15.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 1.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.9 m -99.04 109.31 22.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 1.0 110.006 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.979 ' HB ' HD11 ' A' ' 88' ' ' LEU . 0.2 OUTLIER -136.34 -172.7 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 1.0 109.276 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.487 ' O ' ' CD1' ' A' ' 88' ' ' LEU . 17.0 m -118.1 161.19 20.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 1.0 110.389 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -75.43 172.07 13.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 1.0 109.322 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 40.12 28.09 0.15 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.456 1.098 . . . . 1.0 111.019 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -114.45 -177.38 3.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 0.774 . . . . 1.0 110.309 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.39 82.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 1.0 109.349 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.979 HD11 ' HB ' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -127.44 90.41 3.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 1.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -120.24 127.79 52.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 1.0 110.304 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.496 HG11 ' CE1' ' A' ' 93' ' ' TYR . 24.4 t -71.27 144.13 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 1.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.898 HD12 ' OE1' ' A' ' 103' ' ' GLN . 4.3 mt -117.67 -41.62 2.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 1.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -127.01 169.92 18.86 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.436 1.085 . . . . 1.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.601 ' CE2' ' SG ' ' A' ' 100' ' ' CYS . 9.7 m-85 -134.02 175.69 9.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 0.761 . . . . 1.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.614 ' OD1' ' CH2' ' A' ' 110' ' ' TRP . 5.5 m-20 -78.01 -87.96 0.05 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.573 1.171 . . . . 1.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.543 ' CD2' ' O ' ' A' ' 94' ' ' ASN . 0.6 OUTLIER 163.07 38.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 1.0 109.65 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 95' ' ' HIS . 5.1 t30 174.28 39.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 1.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 39.77 62.39 1.43 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.522 1.139 . . . . 1.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -119.37 -69.74 0.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.749 . . . . 1.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.566 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 15.9 m95 -127.71 164.2 22.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 1.0 108.031 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.601 ' SG ' ' CE2' ' A' ' 93' ' ' TYR . 18.8 m -136.33 130.27 32.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 1.0 108.255 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.571 ' HG3' ' CD1' ' A' ' 110' ' ' TRP . 26.9 tt0 -80.03 134.2 36.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 1.0 110.352 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -132.58 159.78 38.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 1.0 109.298 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.898 ' OE1' HD12 ' A' ' 91' ' ' LEU . 1.5 mt-30 -123.76 151.36 43.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 1.0 110.241 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.817 HG22 ' H ' ' A' ' 106' ' ' ASN . 1.1 m -104.6 145.16 30.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 1.0 110.44 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.461 ' HE2' HG23 ' A' ' 104' ' ' THR . 0.0 OUTLIER -39.9 -33.67 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 1.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.817 ' H ' HG22 ' A' ' 104' ' ' THR . 28.9 m-20 -142.97 57.3 1.41 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 1.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 167.64 179.25 40.26 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.443 1.089 . . . . 1.0 110.987 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -150.19 164.52 35.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 0.749 . . . . 1.0 110.327 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.406 ' O ' HD12 ' A' ' 80' ' ' LEU . . . 166.39 178.1 38.83 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.477 1.111 . . . . 1.0 111.049 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.614 ' CH2' ' OD1' ' A' ' 94' ' ' ASN . 4.4 m95 -106.45 161.77 14.29 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.956 -1.127 . . . . 1.0 107.956 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.614 HG23 ' HD2' ' A' ' 112' ' ' PRO . 3.1 p -159.75 140.95 9.27 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 1.0 109.282 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.614 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.4 Cg_endo -75.0 147.08 33.44 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 1.0 111.027 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.05 -11.17 60.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 1.0 109.991 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -69.72 -30.95 68.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 1.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -94.84 -1.12 53.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 1.0 110.976 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.546 HD11 ' CG1' ' A' ' 111' ' ' VAL . 11.6 mt -120.16 147.48 23.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 1.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.663 ' HB ' HD12 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -134.12 156.09 79.45 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.148 . . . . 1.0 110.422 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 171.04 19.09 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.515 1.798 . . . . 1.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.56 ' O ' HG12 ' A' ' 119' ' ' VAL . 35.4 t -98.91 3.92 10.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 1.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 24.7 p . . . . . 0 C--O 1.25 1.094 0 CA-C-O 117.013 -1.47 . . . . 1.0 109.984 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.821 ' O ' HG23 ' A' ' 119' ' ' VAL . 2.8 mm? . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.349 -0.612 . . . . 1.0 109.349 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.555 ' CD1' ' HA ' ' A' ' 118' ' ' PRO . 7.4 m-30 -116.52 167.05 11.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 1.0 110.964 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.6 144.48 37.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 1.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.81 ' HB2' HD22 ' A' ' 88' ' ' LEU . . . -72.03 129.95 39.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 1.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.609 ' CD1' HG21 ' A' ' 117' ' ' THR . 0.8 OUTLIER -91.28 -64.13 1.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.122 . . . . 1.0 109.341 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -100.51 165.25 11.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 1.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -86.53 169.08 13.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 1.078 . . . . 1.0 109.283 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.465 ' CE1' HG23 ' A' ' 79' ' ' THR . 2.6 t80 -117.95 143.37 46.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 1.0 110.943 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.4 ' O ' ' N ' ' A' ' 75' ' ' SER . 11.4 p -116.2 149.98 18.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 1.0 109.254 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.57 90.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 1.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 73' ' ' VAL . 29.0 t -150.13 125.7 10.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 1.0 109.989 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.0 169.19 39.53 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.486 1.117 . . . . 1.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 78' ' ' ASN . 6.9 t70 -84.49 156.96 21.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 1.0 109.312 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 77' ' ' ASP . 4.4 t30 39.9 65.74 0.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 1.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.494 HG23 ' N ' ' A' ' 80' ' ' LEU . 0.3 OUTLIER -117.81 170.0 9.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 1.0 110.368 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.932 HD22 ' CD1' ' A' ' 82' ' ' ILE . 1.4 tt -137.12 124.67 22.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 1.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.9 m -94.96 115.12 27.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 1.0 109.984 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.932 ' CD1' HD22 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -124.42 174.5 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 1.0 109.296 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -114.75 149.97 36.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 1.0 110.374 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -60.9 179.19 0.19 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 1.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 84' ' ' LYS . . . 34.57 42.27 0.3 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 1.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -122.33 154.29 37.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 0.748 . . . . 1.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.05 92.61 0.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 1.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.818 HD12 HG21 ' A' ' 82' ' ' ILE . 9.9 tt -136.15 114.72 11.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 1.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.15 137.71 51.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 1.0 110.323 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.4 t -69.95 139.72 19.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 1.0 109.324 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -108.47 -38.61 5.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 1.0 109.242 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 101' ' ' GLU . . . -137.43 156.05 23.3 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.464 1.102 . . . . 1.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.46 ' HA ' ' HA ' ' A' ' 100' ' ' CYS . 0.1 OUTLIER -124.29 177.85 5.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 0.751 . . . . 1.0 111.018 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.654 ' ND2' ' CZ3' ' A' ' 110' ' ' TRP . 1.3 m-80 -72.43 177.97 4.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 1.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -86.06 -58.44 2.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 1.0 109.631 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -65.11 -55.89 16.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 1.0 109.283 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 127.06 64.37 0.15 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.522 1.139 . . . . 1.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -120.38 -51.76 2.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 0.764 . . . . 1.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.543 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 7.8 m95 -125.47 175.02 7.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.101 . . . . 1.0 108.033 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.541 ' O ' HG12 ' A' ' 111' ' ' VAL . 1.4 p -136.05 143.65 44.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 1.0 108.297 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 92' ' ' GLY . 22.3 tt0 -91.99 136.98 32.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 1.0 110.313 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -133.43 153.38 51.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 1.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.427 ' CB ' ' HG3' ' A' ' 108' ' ' GLN . 16.6 tt0 -122.1 140.15 52.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 1.0 110.342 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.877 HG21 HD12 ' A' ' 82' ' ' ILE . 48.7 p -124.08 167.32 14.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 1.0 110.405 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.41 -21.04 60.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 1.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -83.43 -20.25 34.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 1.0 109.346 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 104' ' ' THR . . . 162.06 -143.06 8.45 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 1.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.706 ' C ' HD12 ' A' ' 80' ' ' LEU . 0.9 OUTLIER -150.77 160.62 43.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 0.781 . . . . 1.0 110.29 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.516 ' N ' HD12 ' A' ' 80' ' ' LEU . . . 178.41 -172.81 45.26 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.503 1.127 . . . . 1.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.654 ' CZ3' ' ND2' ' A' ' 94' ' ' ASN . 25.9 m95 -89.68 165.44 14.21 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.998 -1.112 . . . . 1.0 107.998 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.541 HG12 ' O ' ' A' ' 100' ' ' CYS . 6.4 p -160.78 134.27 4.86 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 1.0 109.312 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.543 ' HD3' ' CZ3' ' A' ' 99' ' ' TRP . 18.4 Cg_endo -74.99 146.57 32.87 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.469 1.773 . . . . 1.0 111.055 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.444 ' O ' ' O ' ' A' ' 116' ' ' ILE . 5.8 t -71.38 -27.13 63.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 1.0 109.994 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -72.29 -4.13 27.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 1.0 109.291 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -111.81 -18.6 12.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 1.0 111.002 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.553 HG23 ' HA ' ' A' ' 68' ' ' ALA . 4.8 mm -125.77 141.78 44.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 1.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.609 HG21 ' CD1' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -126.04 158.32 66.49 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 1.0 110.373 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.555 ' HA ' ' CD1' ' A' ' 66' ' ' PHE . 18.2 Cg_endo -75.0 178.41 7.31 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.528 1.804 . . . . 1.0 111.055 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.821 HG23 ' O ' ' A' ' 65' ' ' LEU . 88.8 t -89.81 -110.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 1.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.661 ' N ' HG12 ' A' ' 119' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.094 0 CA-C-O 116.99 -1.481 . . . . 1.0 109.974 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.81 ' O ' HG23 ' A' ' 119' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.309 -0.626 . . . . 1.0 109.309 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.441 ' HA ' ' HA ' ' A' ' 118' ' ' PRO . 0.7 OUTLIER -108.99 155.64 20.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 1.0 110.951 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.551 ' O ' HG23 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -120.21 158.26 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 1.0 109.332 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.877 ' HB2' HD22 ' A' ' 88' ' ' LEU . . . -69.85 128.47 36.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 1.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.585 HD22 HG21 ' A' ' 117' ' ' THR . 13.8 tp -111.37 -81.54 0.58 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 1.0 109.347 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.453 ' N ' ' HG ' ' A' ' 69' ' ' LEU . 12.0 m-85 -70.68 163.02 27.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 1.0 111.026 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.68 169.07 11.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 1.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.483 ' CD1' ' N ' ' A' ' 73' ' ' VAL . 15.0 t80 -125.75 167.2 15.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 1.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.483 ' N ' ' CD1' ' A' ' 72' ' ' PHE . 8.8 p -125.98 145.41 33.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 1.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.94 144.49 18.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 1.0 109.327 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.5 m -131.51 177.31 7.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 1.0 110.005 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -104.96 55.61 0.57 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.445 1.09 . . . . 1.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 79' ' ' THR . 0.7 OUTLIER 174.7 -172.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 0.769 . . . . 1.0 109.277 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -56.01 88.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 1.143 . . . . 1.0 109.331 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.492 HG23 ' N ' ' A' ' 80' ' ' LEU . 0.3 OUTLIER -132.77 170.37 15.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 1.0 110.432 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.835 HD21 ' OG1' ' A' ' 104' ' ' THR . 1.2 tt -134.81 116.7 15.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 1.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.3 m -98.01 110.6 23.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 1.0 109.991 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.523 ' H ' HD12 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -131.61 -174.88 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 1.0 109.319 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.7 m -125.66 157.84 36.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 1.0 110.428 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.515 ' O ' ' C ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -57.25 -179.78 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 1.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.515 ' C ' ' O ' ' A' ' 84' ' ' LYS . . . 27.99 54.2 0.11 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.495 1.122 . . . . 1.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.451 ' OE2' HG22 ' A' ' 82' ' ' ILE . 8.3 tt0 -121.23 162.0 20.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 0.782 . . . . 1.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.71 82.83 8.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 1.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.877 HD22 ' HB2' ' A' ' 68' ' ' ALA . 1.4 tt -144.71 123.07 12.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 1.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.508 ' HG2' HG12 ' A' ' 67' ' ' VAL . 31.2 mtm-85 -135.55 147.76 48.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 1.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.458 ' CG1' ' HB3' ' A' ' 100' ' ' CYS . 9.4 t -69.82 127.17 31.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 1.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.649 HD12 ' OE1' ' A' ' 103' ' ' GLN . 3.3 mt -105.91 -31.05 8.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 1.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -136.17 168.03 24.2 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 1.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.573 ' N ' ' CD1' ' A' ' 93' ' ' TYR . 0.1 OUTLIER -131.67 161.97 31.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 0.774 . . . . 1.0 111.033 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.471 ' O ' ' CB ' ' A' ' 95' ' ' HIS . 2.8 p30 -77.68 -18.13 56.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.153 . . . . 1.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.471 ' CB ' ' O ' ' A' ' 94' ' ' ASN . 0.5 OUTLIER 85.23 80.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 1.0 109.575 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 170.94 -48.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 1.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 111.61 38.36 1.46 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.54 1.15 . . . . 1.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -120.32 -62.35 1.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 0.781 . . . . 1.0 110.307 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.446 ' CE2' ' HB3' ' A' ' 112' ' ' PRO . 16.3 m95 -125.49 154.57 41.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 1.0 107.969 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.458 ' HB3' ' CG1' ' A' ' 90' ' ' VAL . 97.8 m -135.33 143.87 46.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 1.0 108.256 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -84.17 134.04 34.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 1.0 110.328 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -135.13 168.06 19.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 1.0 109.334 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.649 ' OE1' HD12 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -111.71 162.45 15.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 1.0 110.327 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.835 ' OG1' HD21 ' A' ' 80' ' ' LEU . 3.3 m -104.88 157.48 17.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 1.0 110.4 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 104' ' ' THR . 1.5 ttpt -39.75 -37.74 0.57 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 1.0 109.252 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -150.29 34.93 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 1.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.416 ' CA ' ' HB ' ' A' ' 104' ' ' THR . . . -159.9 -156.32 8.09 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.137 . . . . 1.0 110.985 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -151.28 176.5 11.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 0.774 . . . . 1.0 110.295 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.411 ' C ' HD12 ' A' ' 80' ' ' LEU . . . 155.36 -174.7 33.46 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.105 . . . . 1.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 21.7 m95 -97.97 167.17 11.07 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.005 -1.109 . . . . 1.0 108.005 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.432 HG13 ' O ' ' A' ' 111' ' ' VAL . 5.2 p -159.19 119.9 1.79 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 1.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.548 ' HG2' ' CD1' ' A' ' 115' ' ' TYR . 18.2 Cg_endo -75.01 145.15 31.05 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.527 1.804 . . . . 1.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 116' ' ' ILE . 30.4 t -69.74 -14.93 63.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 1.0 109.984 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -71.56 -22.39 61.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 1.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.548 ' CD1' ' HG2' ' A' ' 112' ' ' PRO . 29.6 m-85 -106.39 -2.36 22.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 1.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.551 HG23 ' O ' ' A' ' 67' ' ' VAL . 7.3 mm -124.81 142.2 42.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 1.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.585 HG21 HD22 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -123.66 159.44 55.62 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 1.0 110.36 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.441 ' HA ' ' HA ' ' A' ' 66' ' ' PHE . 18.1 Cg_endo -75.01 170.72 19.8 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.446 1.761 . . . . 1.0 111.014 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 65' ' ' LEU . 93.0 t -83.33 4.66 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 1.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.1 p . . . . . 0 C--O 1.251 1.135 0 CA-C-O 116.987 -1.482 . . . . 1.0 109.99 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.595 ' O ' HG23 ' A' ' 119' ' ' VAL . 4.3 mm? . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.303 -0.628 . . . . 1.0 109.303 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.567 ' CD1' ' HB ' ' A' ' 90' ' ' VAL . 0.9 OUTLIER -113.08 156.97 22.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 1.0 110.962 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.459 HG22 HG22 ' A' ' 119' ' ' VAL . 0.0 OUTLIER -121.47 141.37 42.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 1.0 109.295 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 1.003 ' HB2' HD22 ' A' ' 88' ' ' LEU . . . -70.58 139.9 51.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 1.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.483 ' HG ' HG21 ' A' ' 117' ' ' THR . 1.7 mt -107.77 -74.32 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 1.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -94.24 166.28 12.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 1.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.1 p-10 -91.73 173.88 7.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 1.0 109.262 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.405 ' HE1' ' HB2' ' A' ' 74' ' ' ALA . 10.3 t80 -138.41 139.84 39.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 1.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.8 p -125.33 101.07 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 1.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.472 ' CB ' HG22 ' A' ' 79' ' ' THR . . . -75.38 -174.85 2.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 1.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 90.4 p -144.98 62.77 1.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 1.0 110.003 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 54.37 90.1 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.505 1.128 . . . . 1.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -168.46 -179.07 3.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 1.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -63.88 -13.08 42.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 1.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.472 HG22 ' CB ' ' A' ' 74' ' ' ALA . 0.6 OUTLIER -69.82 165.64 21.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 1.0 110.423 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.54 HD12 ' C ' ' A' ' 108' ' ' GLN . 3.7 tt -135.82 117.64 15.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 1.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.488 ' O ' ' CD2' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -73.66 178.84 4.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 1.0 109.959 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 1.059 HD13 ' CD1' ' A' ' 88' ' ' LEU . 0.1 OUTLIER -152.05 162.34 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 1.0 109.34 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.3 m -104.83 152.09 23.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 1.0 110.393 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.472 ' O ' ' C ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -66.33 174.72 2.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 1.0 109.289 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.472 ' C ' ' O ' ' A' ' 84' ' ' LYS . . . 32.07 41.24 0.09 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.513 1.133 . . . . 1.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 84' ' ' LYS . 11.0 tp10 -111.07 151.34 28.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 1.0 110.254 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.44 86.42 6.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 1.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 1.059 ' CD1' HD13 ' A' ' 82' ' ' ILE . 0.4 OUTLIER -121.19 127.81 51.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 1.0 109.27 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 10.6 mtp85 -135.44 137.35 42.14 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.462 1.101 . . . . 1.0 110.307 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.567 ' HB ' ' CD1' ' A' ' 66' ' ' PHE . 98.4 t -78.2 111.53 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 1.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.1 mt -113.23 -7.94 13.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 1.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -123.2 154.21 17.18 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.504 1.128 . . . . 1.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -143.69 146.82 33.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 0.783 . . . . 1.0 110.977 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.448 ' OD1' ' N ' ' A' ' 96' ' ' ASN . 6.1 p30 -69.91 -161.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.084 . . . . 1.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -120.34 66.7 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 1.0 109.597 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.448 ' N ' ' OD1' ' A' ' 94' ' ' ASN . 8.1 t30 172.17 -63.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 1.0 109.33 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 132.04 45.28 0.14 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.523 1.139 . . . . 1.0 110.958 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -109.96 -48.62 3.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 0.76 . . . . 1.0 110.262 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.544 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 10.1 m95 -136.32 166.58 23.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 1.0 108.018 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.487 ' O ' HG12 ' A' ' 111' ' ' VAL . 33.8 m -136.36 142.98 43.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 1.0 108.273 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -85.19 136.12 33.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 1.0 110.297 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.564 ' CB ' HG11 ' A' ' 111' ' ' VAL . . . -135.2 169.95 16.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 1.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -106.68 150.68 26.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 1.0 110.329 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 105' ' ' LYS . 1.7 m -114.17 162.92 15.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 1.0 110.428 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 104' ' ' THR . 8.4 mtmt -37.32 -58.29 0.84 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 1.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -137.11 49.34 2.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 1.0 109.347 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -174.12 176.54 46.54 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.55 1.156 . . . . 1.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.54 ' C ' HD12 ' A' ' 80' ' ' LEU . 3.5 tt0 -153.28 136.54 15.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 0.73 . . . . 1.0 110.296 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -165.94 -161.01 14.02 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.557 1.161 . . . . 1.0 111.018 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 39.3 m95 -83.37 160.24 21.67 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.984 -1.117 . . . . 1.0 107.984 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.741 HG23 HD11 ' A' ' 82' ' ' ILE . 3.6 p -160.06 126.25 2.42 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 1.0 109.352 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.544 ' HD3' ' CZ3' ' A' ' 99' ' ' TRP . 18.3 Cg_endo -74.91 140.47 25.75 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.475 1.777 . . . . 1.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.424 ' O ' ' O ' ' A' ' 116' ' ' ILE . 43.2 t -74.88 -8.36 56.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 1.0 110.002 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -70.43 -27.68 64.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 1.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -98.49 -5.25 32.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 1.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.674 HD11 ' CG2' ' A' ' 111' ' ' VAL . 13.3 mt -121.97 163.64 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 1.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.483 HG21 ' HG ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -141.96 154.78 65.58 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.429 1.081 . . . . 1.0 110.398 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.403 ' HA ' ' HA ' ' A' ' 66' ' ' PHE . 18.4 Cg_endo -74.95 177.96 7.87 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.445 1.761 . . . . 1.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 65' ' ' LEU . 74.9 t -105.32 4.46 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 1.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 42.6 m . . . . . 0 C--O 1.249 1.062 0 CA-C-O 117.06 -1.448 . . . . 1.0 109.966 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' A' ' 65' ' ' LEU . 4.0 mm? . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.32 -0.622 . . . . 1.0 109.32 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.486 ' CD1' ' N ' ' A' ' 66' ' ' PHE . 0.1 OUTLIER -121.64 152.86 38.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 1.0 111.004 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -121.36 153.03 25.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 1.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 1.061 ' HB2' HD23 ' A' ' 88' ' ' LEU . . . -74.77 98.05 3.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 1.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.458 ' HB2' ' CG2' ' A' ' 117' ' ' THR . 0.1 OUTLIER -84.94 -41.0 16.33 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 1.0 109.265 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -97.49 163.08 13.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 1.0 110.985 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.76 154.48 17.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 1.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.969 ' CE1' ' HB3' ' A' ' 74' ' ' ALA . 8.5 t80 -126.85 122.01 33.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 1.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.543 ' O ' HG12 ' A' ' 73' ' ' VAL . 47.9 t -134.56 44.06 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 1.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.969 ' HB3' ' CE1' ' A' ' 72' ' ' PHE . . . -75.2 174.27 9.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 1.0 109.297 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 59.5 p -148.61 121.5 8.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 1.0 109.959 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 172.41 -147.72 10.13 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.512 1.132 . . . . 1.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 78' ' ' ASN . 3.3 m-20 -105.35 152.94 22.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 0.752 . . . . 1.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 77' ' ' ASP . 7.3 m120 39.97 69.52 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 1.0 109.31 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.482 HG23 ' N ' ' A' ' 80' ' ' LEU . 0.5 OUTLIER -127.4 170.0 13.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 1.0 110.401 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.9 HD21 HG21 ' A' ' 104' ' ' THR . 1.4 tt -134.9 116.67 15.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 1.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.0 m -106.88 112.49 25.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 1.0 110.008 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.472 HG12 HD13 ' A' ' 88' ' ' LEU . 0.2 OUTLIER -128.25 -178.42 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 1.0 109.284 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.5 m -121.84 159.26 27.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 1.0 110.397 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.484 ' O ' ' C ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -62.21 -176.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 1.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.484 ' C ' ' O ' ' A' ' 84' ' ' LYS . . . 30.56 43.97 0.08 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.484 1.115 . . . . 1.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -118.8 156.75 28.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 0.739 . . . . 1.0 110.285 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.52 84.2 7.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 1.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 1.061 HD23 ' HB2' ' A' ' 68' ' ' ALA . 0.1 OUTLIER -141.36 122.25 14.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 1.0 109.308 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.462 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -132.85 153.25 51.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 1.0 110.342 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 77.3 t -69.93 135.28 28.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 1.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.531 HD13 ' CD ' ' A' ' 103' ' ' GLN . 0.4 OUTLIER -104.37 -43.14 5.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 1.0 109.263 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -146.6 163.13 28.53 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.509 1.13 . . . . 1.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -121.29 155.74 34.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.767 . . . . 1.0 111.03 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 95' ' ' HIS . 0.4 OUTLIER -72.66 175.96 5.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 1.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.472 ' O ' ' CB ' ' A' ' 96' ' ' ASN . 36.0 t-80 -73.27 58.17 0.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 1.0 109.603 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 95' ' ' HIS . 0.9 OUTLIER 157.88 177.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.128 . . . . 1.0 109.321 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -99.77 63.75 0.66 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.468 1.105 . . . . 1.0 110.969 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -120.72 -63.43 1.35 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 0.759 . . . . 1.0 110.28 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.468 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 14.6 m95 -135.24 159.92 40.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 1.0 107.98 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.418 ' O ' HG12 ' A' ' 111' ' ' VAL . 14.3 m -136.11 142.11 44.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 1.0 108.293 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -79.1 132.69 36.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 1.0 110.307 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.511 ' CB ' HG11 ' A' ' 111' ' ' VAL . . . -132.25 163.88 27.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 1.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.531 ' CD ' HD13 ' A' ' 91' ' ' LEU . 34.3 mt-30 -126.2 161.78 26.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 1.0 110.252 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.9 HG21 HD21 ' A' ' 80' ' ' LEU . 4.5 p -134.76 166.82 22.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 1.0 110.427 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.469 ' C ' ' O ' ' A' ' 104' ' ' THR . 4.4 tptt -35.65 -60.37 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 1.0 109.342 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -136.9 56.77 1.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 1.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.489 ' O ' ' N ' ' A' ' 104' ' ' THR . . . -176.29 148.64 9.28 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.492 1.12 . . . . 1.0 111.053 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.476 ' HG3' ' CG ' ' A' ' 103' ' ' GLN . 44.5 tt0 -150.75 151.35 32.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 0.74 . . . . 1.0 110.329 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.505 ' H ' HD12 ' A' ' 80' ' ' LEU . . . 172.51 -160.21 31.33 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.501 1.126 . . . . 1.0 111.016 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 29.1 m95 -84.15 146.08 28.05 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.0 -1.111 . . . . 1.0 108.0 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.593 ' CG2' HD11 ' A' ' 116' ' ' ILE . 1.2 p -148.21 124.96 5.47 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 1.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.556 ' HG2' ' CD1' ' A' ' 115' ' ' TYR . 18.3 Cg_endo -75.02 144.61 30.37 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.465 1.771 . . . . 1.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.439 ' O ' ' O ' ' A' ' 116' ' ' ILE . 0.1 OUTLIER -75.0 -14.27 60.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 1.0 109.993 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -74.08 -14.99 61.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 1.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.556 ' CD1' ' HG2' ' A' ' 112' ' ' PRO . 13.7 m-85 -104.05 -10.79 17.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 1.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.593 HD11 ' CG2' ' A' ' 111' ' ' VAL . 13.1 mt -124.04 143.29 37.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 1.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.458 ' CG2' ' HB2' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -131.86 158.66 74.84 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 1.0 110.409 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.441 ' HA ' ' HA ' ' A' ' 66' ' ' PHE . 18.5 Cg_endo -74.98 168.19 25.39 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.51 1.795 . . . . 1.0 111.038 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.656 HG12 ' N ' ' A' ' 120' ' ' SER . 87.6 t -76.66 -110.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 1.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.656 ' N ' HG12 ' A' ' 119' ' ' VAL . 26.2 m . . . . . 0 C--O 1.251 1.136 0 CA-C-O 116.934 -1.508 . . . . 1.0 109.99 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.546 ' N ' HD22 ' A' ' 65' ' ' LEU . 1.8 mm? -98.47 150.2 21.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 109.33 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.449 ' HA ' ' HA ' ' A' ' 118' ' ' PRO . 0.3 OUTLIER -115.9 153.75 30.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 1.0 110.973 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.953 ' O ' HG23 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -118.35 162.51 16.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 1.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.786 ' HB2' ' HB3' ' A' ' 88' ' ' LEU . . . -68.98 132.16 46.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 1.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.483 ' HB2' ' CG2' ' A' ' 117' ' ' THR . 10.4 tp -113.13 -79.3 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 1.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.43 ' N ' ' HG ' ' A' ' 69' ' ' LEU . 10.9 m-85 -79.93 163.85 23.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 1.0 110.99 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -87.58 176.73 7.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 1.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.448 ' CB ' HD12 ' A' ' 82' ' ' ILE . 6.6 t80 -136.46 167.28 21.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 1.0 110.974 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.418 ' N ' ' CD1' ' A' ' 72' ' ' PHE . 88.6 t -127.21 143.22 41.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 1.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.54 158.55 1.76 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.54 1.15 . . . . 1.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.9 t -149.1 -57.95 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 1.0 110.015 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -164.35 -155.26 8.26 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.505 1.128 . . . . 1.0 110.978 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.4 ' O ' ' CG ' ' A' ' 78' ' ' ASN . 4.9 t70 -93.6 60.07 2.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 0.793 . . . . 1.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.4 ' CG ' ' O ' ' A' ' 77' ' ' ASP . 15.7 m-80 -163.47 -43.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 1.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.557 HG23 ' N ' ' A' ' 80' ' ' LEU . 0.3 OUTLIER -69.63 173.88 5.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 1.0 110.374 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.799 ' CD2' HG21 ' A' ' 104' ' ' THR . 1.6 tt -133.96 117.54 16.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 1.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.1 m -93.63 111.93 23.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 1.0 109.974 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.633 ' H ' HD12 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -130.62 -177.72 2.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.12 . . . . 1.0 109.358 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.0 m -106.58 170.13 8.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 1.0 110.378 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -72.55 161.58 30.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 1.0 109.24 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 37.66 30.12 0.06 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 1.0 110.982 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.741 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 1.5 tt0 -83.17 160.64 21.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 0.755 . . . . 1.0 110.293 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.0 84.42 6.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 1.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.805 HD23 ' O ' ' A' ' 88' ' ' LEU . 0.6 OUTLIER -140.52 113.82 8.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 1.0 109.296 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.485 ' HE ' HD12 ' A' ' 65' ' ' LEU . 24.3 ttt-85 -118.07 146.29 44.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 1.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 89.3 t -70.64 134.77 29.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 1.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.482 ' HA ' HD23 ' A' ' 91' ' ' LEU . 2.7 mt -107.26 -40.3 5.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 1.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -138.14 166.79 25.12 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.519 1.137 . . . . 1.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -120.28 174.94 6.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.766 . . . . 1.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -92.56 21.86 5.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 1.0 109.256 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 69.26 36.73 2.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 1.0 109.597 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -176.99 -175.38 0.59 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 1.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -106.26 54.7 0.57 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.486 1.116 . . . . 1.0 110.965 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -120.31 -66.9 1.02 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 0.806 . . . . 1.0 110.315 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.559 ' CZ2' ' HB3' ' A' ' 112' ' ' PRO . 19.8 m95 -135.3 156.27 49.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 1.0 108.006 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.436 ' O ' HG22 ' A' ' 111' ' ' VAL . 4.4 m -136.04 140.99 44.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 1.0 108.286 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.19 134.87 35.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 1.0 110.332 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.868 ' HB3' HG11 ' A' ' 111' ' ' VAL . . . -134.3 163.11 30.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 1.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.44 ' CD ' HD12 ' A' ' 91' ' ' LEU . 32.8 mt-30 -115.87 161.69 18.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 1.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.799 HG21 ' CD2' ' A' ' 80' ' ' LEU . 4.2 p -135.46 145.97 47.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 1.0 110.395 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.56 -21.87 29.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 1.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -86.77 -40.11 15.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 1.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 104' ' ' THR . . . -171.64 -131.3 1.33 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.481 1.113 . . . . 1.0 110.962 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -148.71 178.69 8.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 0.783 . . . . 1.0 110.346 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.658 ' N ' HD12 ' A' ' 80' ' ' LEU . . . 158.1 -177.48 34.8 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.554 1.159 . . . . 1.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 26.6 m95 -88.46 155.33 19.73 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.985 -1.117 . . . . 1.0 107.985 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.868 HG11 ' HB3' ' A' ' 102' ' ' ALA . 1.0 OUTLIER -147.39 123.5 5.46 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 1.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.565 ' HG2' ' CD1' ' A' ' 115' ' ' TYR . 18.3 Cg_endo -75.04 145.52 31.41 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.451 1.764 . . . . 1.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.425 ' O ' ' O ' ' A' ' 116' ' ' ILE . 0.3 OUTLIER -68.88 -19.22 64.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 1.0 109.994 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.37 -11.33 60.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 1.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.565 ' CD1' ' HG2' ' A' ' 112' ' ' PRO . 5.4 m-85 -105.63 -10.11 16.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 1.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.953 HG23 ' O ' ' A' ' 67' ' ' VAL . 3.6 mt -127.82 143.17 41.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 1.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.483 ' CG2' ' HB2' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -123.28 160.11 51.63 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 1.0 110.373 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.449 ' HA ' ' HA ' ' A' ' 66' ' ' PHE . 18.3 Cg_endo -74.96 168.82 23.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.505 1.792 . . . . 1.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.534 ' O ' HG12 ' A' ' 119' ' ' VAL . 95.8 t -83.58 4.74 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 1.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 9.3 t . . . . . 0 C--O 1.249 1.069 0 CA-C-O 116.975 -1.488 . . . . 1.0 110.02 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.452 HD13 ' HA ' ' A' ' 65' ' ' LEU . 4.2 mm? -70.0 178.44 2.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.413 ' CD1' ' N ' ' A' ' 66' ' ' PHE . 0.1 OUTLIER -119.88 151.35 39.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 1.0 111.044 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 117' ' ' THR . 0.2 OUTLIER -111.39 -175.97 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 1.0 109.292 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.876 ' HB2' ' HB3' ' A' ' 88' ' ' LEU . . . -68.14 133.35 48.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 1.0 109.34 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.647 ' HB2' HG22 ' A' ' 117' ' ' THR . 14.9 tp -101.62 -81.66 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 1.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.437 ' N ' ' HG ' ' A' ' 69' ' ' LEU . 9.2 m-85 -99.26 163.95 12.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 1.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.4 168.02 20.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.16 . . . . 1.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.618 ' CE2' ' O ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -104.78 153.17 21.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 1.0 110.984 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 84.1 t -119.1 139.98 44.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 1.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -45.58 147.71 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 1.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.531 ' CB ' HG21 ' A' ' 79' ' ' THR . 0.3 OUTLIER -149.0 170.02 19.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 1.0 109.965 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 77' ' ' ASP . . . -96.17 -82.9 1.64 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.545 1.153 . . . . 1.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 78' ' ' ASN . 10.3 p-10 -46.04 170.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 0.765 . . . . 1.0 109.318 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 77' ' ' ASP . 7.8 m-80 -39.3 110.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 1.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.547 HG23 ' N ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -142.54 174.02 11.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 1.0 110.395 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.963 HD22 ' CG1' ' A' ' 82' ' ' ILE . 1.0 OUTLIER -132.12 117.35 18.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 1.0 109.31 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.1 m -97.68 109.37 22.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 1.0 110.028 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.963 ' CG1' HD22 ' A' ' 80' ' ' LEU . 1.2 mt -136.44 175.02 11.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 1.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.52 ' H ' HG22 ' A' ' 82' ' ' ILE . 5.2 m -123.61 157.93 32.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 1.0 110.376 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.49 ' HG2' ' N ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -68.39 -177.36 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 1.0 109.324 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.49 ' N ' ' HG2' ' A' ' 84' ' ' LYS . . . 34.93 44.01 0.46 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.499 1.124 . . . . 1.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.44 ' OE2' ' NZ ' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -136.46 175.07 9.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 0.738 . . . . 1.0 110.318 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -69.29 70.3 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 1.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.876 ' HB3' ' HB2' ' A' ' 68' ' ' ALA . 0.2 OUTLIER -128.36 102.09 6.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 1.0 109.242 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 14.5 mtt-85 -136.59 141.36 43.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 1.0 110.288 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.715 ' CG2' HD12 ' A' ' 116' ' ' ILE . 7.3 t -68.09 114.91 5.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 1.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.4 mt -115.72 4.48 14.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 1.0 109.259 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -148.44 155.88 26.61 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.557 1.16 . . . . 1.0 111.016 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -134.53 156.55 48.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 1.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.621 ' ND2' ' CZ3' ' A' ' 110' ' ' TRP . 0.6 OUTLIER -69.63 -74.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 1.0 109.264 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.524 ' CG ' ' O ' ' A' ' 94' ' ' ASN . 1.0 OUTLIER 165.69 -67.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 1.0 109.635 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.482 ' H ' ' ND2' ' A' ' 96' ' ' ASN . 1.6 p30 -65.81 -52.36 51.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 1.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 134.26 61.01 0.07 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.447 1.092 . . . . 1.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -117.35 -61.01 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 1.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.587 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 9.1 m95 -131.6 172.8 11.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 1.0 107.998 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 82.2 m -135.71 140.03 44.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 1.0 108.301 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -76.42 133.83 39.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 1.0 110.263 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.561 ' HB3' ' CG1' ' A' ' 111' ' ' VAL . . . -120.43 162.97 18.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.157 . . . . 1.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.441 ' CG ' ' HG3' ' A' ' 108' ' ' GLN . 1.8 mt-30 -134.45 143.1 47.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.08 . . . . 1.0 110.312 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.84 ' CG2' HD21 ' A' ' 80' ' ' LEU . 0.7 OUTLIER -104.71 156.88 17.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 1.0 110.398 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.44 ' NZ ' ' OE2' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -37.97 -45.62 0.9 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 1.0 109.292 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -141.96 65.84 1.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 1.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 167.13 -172.33 42.15 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.494 1.121 . . . . 1.0 110.981 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.441 ' HG3' ' CG ' ' A' ' 103' ' ' GLN . 0.8 OUTLIER -151.96 -176.44 5.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 0.767 . . . . 1.0 110.323 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.42 ' CA ' HD12 ' A' ' 80' ' ' LEU . . . 160.01 179.91 35.11 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 1.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.621 ' CZ3' ' ND2' ' A' ' 94' ' ' ASN . 12.4 m95 -104.38 151.01 24.0 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.021 -1.103 . . . . 1.0 108.021 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.561 ' CG1' ' HB3' ' A' ' 102' ' ' ALA . 0.9 OUTLIER -152.88 145.65 17.4 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 1.0 109.297 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.587 ' HD3' ' CZ3' ' A' ' 99' ' ' TRP . 18.2 Cg_endo -75.01 161.49 38.67 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.529 1.805 . . . . 1.0 110.987 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.639 ' HA ' HD11 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -75.33 -29.65 60.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 1.0 110.018 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -80.29 4.3 18.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 1.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.587 ' CD1' ' HG2' ' A' ' 112' ' ' PRO . 0.0 OUTLIER -96.71 -12.48 23.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 1.0 111.014 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.715 HD12 ' CG2' ' A' ' 90' ' ' VAL . 0.1 OUTLIER -121.83 171.52 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 1.0 109.312 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.647 HG22 ' HB2' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -134.34 148.54 68.1 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 1.0 110.386 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 117' ' ' THR . 18.3 Cg_endo -74.97 167.16 27.67 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.479 1.778 . . . . 1.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.545 ' O ' HG12 ' A' ' 119' ' ' VAL . 79.3 t -97.89 4.55 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 1.0 109.334 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 117.014 -1.47 . . . . 1.0 109.982 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 1.312 ' HB3' ' CZ ' ' A' ' 66' ' ' PHE . 47.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.604 ' O ' HG23 ' A' ' 119' ' ' VAL . 3.0 mm? -108.47 101.41 10.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 1.312 ' CZ ' ' HB3' ' A' ' 64' ' ' SER . 3.2 m-85 -116.31 160.94 19.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 1.0 110.955 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.601 HG22 HG22 ' A' ' 119' ' ' VAL . 0.0 OUTLIER -129.67 141.88 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 1.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.855 ' HA ' HG23 ' A' ' 116' ' ' ILE . . . -69.76 134.2 48.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 1.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.458 ' CD1' HG21 ' A' ' 117' ' ' THR . 0.8 OUTLIER -90.44 -57.11 2.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 1.0 109.252 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -103.76 166.74 10.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 1.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -78.3 -173.99 3.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 1.0 109.284 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.61 ' CE1' ' HA ' ' A' ' 81' ' ' SER . 0.0 OUTLIER -102.53 158.0 16.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 1.0 111.013 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 75' ' ' SER . 53.4 t -135.35 110.43 11.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.493 1.121 . . . . 1.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -48.07 94.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 1.0 109.325 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 73' ' ' VAL . 0.2 OUTLIER -150.5 103.82 3.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 1.0 110.011 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 128.66 173.94 13.58 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.493 1.121 . . . . 1.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -112.8 52.01 0.8 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 1.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 168.01 41.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 1.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.609 HG23 ' N ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -104.55 176.84 5.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 1.0 110.377 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.884 HD12 ' C ' ' A' ' 108' ' ' GLN . 3.7 tt -135.85 119.94 17.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 1.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.61 ' HA ' ' CE1' ' A' ' 72' ' ' PHE . 20.1 m -71.88 110.52 6.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 1.0 109.999 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.97 HD12 HD11 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -133.95 157.69 42.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 1.0 109.322 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -113.05 148.6 34.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 1.0 110.455 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -58.07 -175.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 1.0 109.292 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 84' ' ' LYS . . . 34.09 38.73 0.11 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 1.0 111.037 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.401 ' HG2' ' NZ ' ' A' ' 105' ' ' LYS . 2.6 tt0 -126.25 174.1 8.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 1.0 110.249 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.403 ' HE2' ' NH2' ' A' ' 89' ' ' ARG . 0.1 OUTLIER -69.11 80.83 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 1.0 109.328 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.97 HD11 HD12 ' A' ' 82' ' ' ILE . 2.7 tt -129.26 102.5 6.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 1.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.403 ' NH2' ' HE2' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -135.08 142.05 46.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 1.0 110.336 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.488 ' HB ' ' CD1' ' A' ' 66' ' ' PHE . 69.9 t -69.56 142.77 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 1.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.674 HD12 ' HB2' ' A' ' 103' ' ' GLN . 3.5 mt -110.9 -45.99 3.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 1.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -148.2 163.68 28.93 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.537 1.148 . . . . 1.0 110.946 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.463 ' N ' ' CD1' ' A' ' 93' ' ' TYR . 0.2 OUTLIER -119.0 146.78 44.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 0.775 . . . . 1.0 110.988 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 95' ' ' HIS . 0.5 OUTLIER -71.05 171.68 10.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 1.0 109.287 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.454 ' N ' ' OD1' ' A' ' 94' ' ' ASN . 17.8 m170 -38.35 -80.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 1.0 109.646 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.449 ' ND2' ' OE2' ' A' ' 98' ' ' GLU . 3.5 p-10 -69.92 178.39 2.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 1.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -102.09 68.62 0.38 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.115 . . . . 1.0 111.016 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.449 ' OE2' ' ND2' ' A' ' 96' ' ' ASN . 23.3 mt-10 -119.92 -59.35 1.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 0.801 . . . . 1.0 110.267 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.452 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 19.4 m95 -128.26 157.56 40.57 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.018 -1.104 . . . . 1.0 108.018 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 25.4 m -135.45 143.36 45.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 1.0 108.316 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -79.87 131.3 35.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 1.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.744 ' HB2' HG11 ' A' ' 111' ' ' VAL . . . -119.46 160.59 22.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 1.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.674 ' HB2' HD12 ' A' ' 91' ' ' LEU . 20.4 tt0 -117.85 138.48 52.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 1.0 110.25 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 105' ' ' LYS . 23.4 m -104.52 150.84 24.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 1.0 110.417 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 104' ' ' THR . 0.0 OUTLIER -39.05 -44.85 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 1.0 109.296 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -142.1 62.24 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 1.0 109.245 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 164.25 174.49 34.09 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.46 1.1 . . . . 1.0 110.975 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.884 ' C ' HD12 ' A' ' 80' ' ' LEU . 2.6 mt-30 -151.52 149.49 29.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.761 . . . . 1.0 110.315 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -171.58 -169.56 34.59 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.499 1.124 . . . . 1.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 41.8 m95 -91.12 153.65 19.92 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.995 -1.113 . . . . 1.0 107.995 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.744 HG11 ' HB2' ' A' ' 102' ' ' ALA . 2.1 p -153.46 122.31 3.16 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 1.0 109.339 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.452 ' HD3' ' CZ3' ' A' ' 99' ' ' TRP . 18.4 Cg_endo -74.97 143.3 29.01 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.476 1.777 . . . . 1.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.45 ' O ' ' O ' ' A' ' 116' ' ' ILE . 0.4 OUTLIER -70.67 -25.03 62.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 1.0 110.037 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.421 ' ND2' ' HB2' ' A' ' 112' ' ' PRO . 2.6 p30 -69.56 -9.13 52.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 1.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.736 ' O ' HD13 ' A' ' 116' ' ' ILE . 1.7 m-85 -112.62 -18.57 12.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 1.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.855 HG23 ' HA ' ' A' ' 68' ' ' ALA . 3.8 mm -124.46 137.36 57.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 1.0 109.344 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.458 HG21 ' CD1' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -120.34 159.79 46.28 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 1.0 110.378 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.571 ' HB3' ' CD2' ' A' ' 66' ' ' PHE . 18.3 Cg_endo -75.01 178.83 6.75 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.474 1.776 . . . . 1.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 65' ' ' LEU . 82.8 t -102.75 4.58 10.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 1.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 C--O 1.25 1.092 0 CA-C-O 116.992 -1.48 . . . . 1.0 110.019 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.565 ' O ' HG23 ' A' ' 119' ' ' VAL . 0.1 OUTLIER -103.18 158.11 16.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 109.324 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.465 ' HA ' HG23 ' A' ' 119' ' ' VAL . 7.2 m-85 -123.65 161.34 25.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 1.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.566 ' O ' HG23 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -120.59 162.8 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 1.0 109.312 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.825 ' HB2' ' HB3' ' A' ' 88' ' ' LEU . . . -69.68 131.76 45.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 1.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.662 HD22 ' CE2' ' A' ' 70' ' ' TYR . 0.4 OUTLIER -83.35 -76.41 0.28 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 1.0 109.277 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.662 ' CE2' HD22 ' A' ' 69' ' ' LEU . 60.5 m-85 -111.01 172.89 6.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 1.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.3 p30 -85.32 177.39 7.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 1.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.584 ' CZ ' ' CG2' ' A' ' 79' ' ' THR . 26.6 t80 -105.97 159.13 16.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 1.0 111.034 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.778 HG13 ' N ' ' A' ' 74' ' ' ALA . 1.5 p -105.25 -151.91 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 1.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.778 ' N ' HG13 ' A' ' 73' ' ' VAL . . . -44.82 164.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 1.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 79.7 p -101.39 179.93 4.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 1.0 109.996 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 151.25 129.37 1.56 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.497 1.123 . . . . 1.0 110.97 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.4 t0 66.78 -165.28 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.767 . . . . 1.0 109.25 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -71.44 72.36 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 1.0 109.324 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.584 ' CG2' ' CZ ' ' A' ' 72' ' ' PHE . 0.4 OUTLIER -126.63 167.23 15.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 1.0 110.37 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.993 HD22 ' CD1' ' A' ' 82' ' ' ILE . 1.6 tt -136.33 119.3 16.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 1.0 109.337 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.532 ' C ' HD13 ' A' ' 82' ' ' ILE . 36.8 m -87.07 115.26 24.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 1.0 110.048 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.993 ' CD1' HD22 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -113.4 169.83 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 1.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.5 m -114.03 156.48 24.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 1.0 110.39 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.493 ' O ' ' C ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -57.96 178.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 1.0 109.287 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.493 ' C ' ' O ' ' A' ' 84' ' ' LYS . . . 30.18 51.31 0.18 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.111 . . . . 1.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -120.84 161.76 20.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 0.759 . . . . 1.0 110.29 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.61 86.81 7.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 1.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.825 ' HB3' ' HB2' ' A' ' 68' ' ' ALA . 1.9 tt -131.58 116.6 17.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 1.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.659 ' N ' HD23 ' A' ' 88' ' ' LEU . 50.3 mtt-85 -131.71 152.57 50.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 1.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.535 ' CG2' HD13 ' A' ' 116' ' ' ILE . 41.7 t -75.02 146.28 9.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 1.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.1 mt -114.08 -46.51 3.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 1.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -148.36 158.05 27.54 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.484 1.115 . . . . 1.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -111.66 168.5 9.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 0.8 . . . . 1.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.595 ' O ' ' CB ' ' A' ' 95' ' ' HIS . 0.7 OUTLIER -97.98 -47.16 5.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 1.0 109.292 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.6 ' CG ' ' N ' ' A' ' 96' ' ' ASN . 2.9 t-80 154.13 170.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 1.0 109.604 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.6 ' N ' ' CG ' ' A' ' 95' ' ' HIS . 46.7 t30 41.12 28.92 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 1.0 109.32 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.439 ' N ' ' C ' ' A' ' 95' ' ' HIS . . . 36.11 59.64 0.93 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.521 1.138 . . . . 1.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -102.66 -63.16 1.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 0.787 . . . . 1.0 110.334 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.525 ' CE2' ' HB3' ' A' ' 112' ' ' PRO . 21.3 m95 -133.1 149.72 52.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 1.0 107.977 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.538 ' O ' HG12 ' A' ' 111' ' ' VAL . 4.0 m -135.93 139.34 43.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 1.0 108.286 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -81.87 135.03 35.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 1.0 110.338 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -133.73 162.13 32.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 1.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.452 ' CB ' ' HG3' ' A' ' 108' ' ' GLN . 20.8 tt0 -116.86 140.35 49.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 1.0 110.298 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.818 HG21 HD12 ' A' ' 82' ' ' ILE . 31.0 p -114.31 152.58 31.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 1.0 110.427 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -18.02 36.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 1.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -88.05 -39.42 14.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 1.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -173.14 -137.17 2.32 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.528 1.142 . . . . 1.0 111.056 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.796 ' C ' HD12 ' A' ' 80' ' ' LEU . 1.0 OUTLIER -151.69 148.34 27.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 0.763 . . . . 1.0 110.286 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -169.72 -167.47 30.29 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.524 1.14 . . . . 1.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -93.81 157.58 16.07 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.972 -1.122 . . . . 1.0 107.972 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.797 HG13 HD11 ' A' ' 116' ' ' ILE . 7.2 p -154.88 131.71 6.0 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 1.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.525 ' HB3' ' CE2' ' A' ' 99' ' ' TRP . 18.5 Cg_endo -74.93 144.6 30.7 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.455 1.766 . . . . 1.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.3 t -73.17 -25.99 61.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 1.0 109.998 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.548 ' ND2' ' H ' ' A' ' 114' ' ' ASN . 0.5 OUTLIER -69.36 -8.64 48.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 1.0 109.266 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.403 ' CD2' ' HG2' ' A' ' 112' ' ' PRO . 2.1 m-85 -114.55 2.82 14.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 1.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.797 HD11 HG13 ' A' ' 111' ' ' VAL . 9.5 mt -118.71 155.99 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 1.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.518 ' CG2' ' HG ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -125.16 155.21 71.42 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 1.0 110.405 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 171.13 18.92 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.467 1.772 . . . . 1.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 65' ' ' LEU . 45.2 t -98.67 4.2 10.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 1.0 109.293 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.0 t . . . . . 0 C--O 1.25 1.121 0 CA-C-O 116.996 -1.478 . . . . 1.0 110.018 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.581 ' O ' ' CE1' ' A' ' 66' ' ' PHE . 47.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.444 ' C ' HD13 ' A' ' 65' ' ' LEU . 0.8 OUTLIER -104.98 112.86 26.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 109.329 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.581 ' CE1' ' O ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -117.81 147.6 42.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 1.0 110.981 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -122.38 148.28 26.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 1.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 1.063 ' HB2' HD22 ' A' ' 88' ' ' LEU . . . -78.12 97.36 5.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 1.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.722 HD13 HG23 ' A' ' 117' ' ' THR . 3.0 mp -84.73 -26.32 27.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 1.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -93.84 153.79 18.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 1.0 111.007 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.72 162.17 13.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 1.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.557 ' HB2' HD12 ' A' ' 82' ' ' ILE . 1.4 t80 -121.63 151.81 40.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 1.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 6.0 p -121.19 127.98 75.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 1.0 109.349 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.25 100.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 1.0 109.264 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 39.2 t -150.1 97.77 2.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 1.0 109.987 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 99.29 163.22 29.53 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.486 1.116 . . . . 1.0 111.028 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.452 ' O ' ' CB ' ' A' ' 78' ' ' ASN . 0.9 OUTLIER -89.18 157.13 18.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 0.778 . . . . 1.0 109.317 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.452 ' CB ' ' O ' ' A' ' 77' ' ' ASP . 3.1 m120 79.12 -0.47 2.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 1.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.531 HG23 ' N ' ' A' ' 80' ' ' LEU . 0.3 OUTLIER -86.35 172.48 10.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 1.0 110.444 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.588 HD22 HG13 ' A' ' 82' ' ' ILE . 1.4 tt -133.43 117.64 17.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 1.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.4 m -98.43 109.98 22.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 1.0 110.022 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.588 HG13 HD22 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -136.57 179.53 3.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 1.0 109.274 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.4 m -112.99 151.82 30.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 1.0 110.367 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.46 ' O ' ' C ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -61.73 179.67 0.24 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 1.0 109.285 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 84' ' ' LYS . . . 33.3 41.16 0.13 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 1.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -118.51 158.31 25.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 0.737 . . . . 1.0 110.323 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.81 90.07 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 1.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 1.063 HD22 ' HB2' ' A' ' 68' ' ' ALA . 1.3 tt -148.71 126.29 11.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 1.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.586 ' N ' HD23 ' A' ' 88' ' ' LEU . 67.8 mtm180 -135.83 155.41 50.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 1.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.473 ' CG1' ' HB3' ' A' ' 100' ' ' CYS . 2.7 t -68.44 140.9 18.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 1.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.526 HD13 ' NE2' ' A' ' 103' ' ' GLN . 1.5 mt -109.91 -40.96 4.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 1.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.36 175.29 25.0 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.515 1.134 . . . . 1.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.631 ' N ' ' CD1' ' A' ' 93' ' ' TYR . 0.2 OUTLIER -135.18 169.19 17.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 0.771 . . . . 1.0 110.996 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.512 ' OD1' ' O ' ' A' ' 99' ' ' TRP . 0.8 OUTLIER -91.73 62.27 4.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 1.0 109.306 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.427 ' C ' ' O ' ' A' ' 94' ' ' ASN . 10.9 p80 37.51 41.4 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 1.0 109.573 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 177.65 169.15 0.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 1.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -93.59 40.42 2.79 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 1.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.6 -58.74 2.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 0.764 . . . . 1.0 110.317 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.569 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 13.9 m95 -133.67 163.21 29.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 1.0 107.986 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.473 ' HB3' ' CG1' ' A' ' 90' ' ' VAL . 11.8 m -136.14 130.02 32.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 1.0 108.29 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -74.68 123.94 25.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 1.0 110.316 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.406 ' C ' ' OE1' ' A' ' 103' ' ' GLN . . . -112.67 157.9 20.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 1.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.526 ' NE2' HD13 ' A' ' 91' ' ' LEU . 9.9 mp0 -135.08 138.32 43.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 1.0 110.298 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.28 162.93 12.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 1.0 110.416 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -43.89 -62.56 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 1.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 16.0 m-20 -121.03 50.96 1.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 1.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -174.52 162.44 32.62 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.47 1.106 . . . . 1.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.43 ' CG ' ' HG3' ' A' ' 103' ' ' GLN . 0.3 OUTLIER -150.45 151.53 32.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 0.759 . . . . 1.0 110.231 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -179.21 173.59 45.64 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.494 1.121 . . . . 1.0 110.973 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.472 ' C ' ' CG1' ' A' ' 111' ' ' VAL . 5.6 m95 -95.53 152.38 18.48 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.045 -1.094 . . . . 1.0 108.045 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.477 HG23 ' CD1' ' A' ' 116' ' ' ILE . 0.8 OUTLIER -152.46 145.66 17.63 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 1.0 109.254 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.569 ' HD3' ' CZ3' ' A' ' 99' ' ' TRP . 18.4 Cg_endo -74.97 144.92 30.94 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 1.0 111.033 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.416 ' O ' ' O ' ' A' ' 116' ' ' ILE . 0.0 OUTLIER -59.33 -15.59 17.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 1.0 109.993 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.05 -30.56 66.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 1.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.566 ' CD1' ' HG2' ' A' ' 112' ' ' PRO . 3.0 m-85 -76.51 -19.03 58.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 1.0 111.038 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.477 ' CD1' HG23 ' A' ' 111' ' ' VAL . 0.0 OUTLIER -116.77 118.6 59.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 1.0 109.308 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.722 HG23 HD13 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -114.78 150.19 43.62 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 1.0 110.438 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 117' ' ' THR . 18.3 Cg_endo -74.96 165.49 31.23 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.539 1.81 . . . . 1.0 111.027 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.502 ' O ' HG12 ' A' ' 119' ' ' VAL . 59.6 t -91.73 4.76 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 1.0 109.267 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 9.3 m . . . . . 0 C--O 1.25 1.104 0 CA-C-O 116.998 -1.477 . . . . 1.0 109.984 179.961 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.621 ' C ' HD22 ' A' ' 65' ' ' LEU . 47.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.713 ' O ' HG23 ' A' ' 119' ' ' VAL . 3.7 mm? -125.5 167.19 15.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 109.328 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.504 ' N ' ' CD1' ' A' ' 66' ' ' PHE . 3.5 m-85 -117.87 167.21 11.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 1.0 110.979 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.624 ' O ' HG23 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -127.75 147.62 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 1.0 109.309 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.586 ' HB2' HD22 ' A' ' 88' ' ' LEU . . . -70.34 112.28 6.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 1.0 109.333 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.478 ' HB2' ' CG2' ' A' ' 117' ' ' THR . 12.4 tp -90.74 -80.8 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 1.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.437 ' N ' ' HG ' ' A' ' 69' ' ' LEU . 12.9 m-85 -72.84 162.21 29.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 1.0 111.045 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.417 ' O ' ' CE1' ' A' ' 115' ' ' TYR . 2.8 p-10 -90.77 172.21 8.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 1.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.555 ' CE1' HG23 ' A' ' 79' ' ' THR . 14.7 t80 -129.1 157.36 41.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 1.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.509 ' N ' ' CD1' ' A' ' 72' ' ' PHE . 67.5 t -129.74 140.4 49.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 1.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.48 142.41 57.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 1.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.6 p -149.73 -67.41 0.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.113 . . . . 1.0 110.008 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -96.67 -179.98 34.63 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.479 1.112 . . . . 1.0 110.973 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -66.61 -61.38 2.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 0.759 . . . . 1.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -81.4 89.56 6.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 1.0 109.263 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.555 HG23 ' CE1' ' A' ' 72' ' ' PHE . 0.5 OUTLIER -150.03 167.72 25.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 1.0 110.431 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.961 HD21 HG21 ' A' ' 104' ' ' THR . 1.2 tt -135.4 117.31 15.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 1.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.1 m -103.57 110.32 22.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.171 . . . . 1.0 110.002 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.639 ' H ' HD12 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -127.57 -173.54 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 1.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.1 m -107.64 166.38 10.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 1.0 110.332 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -75.98 165.08 25.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.421 1.076 . . . . 1.0 109.274 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 37.65 30.2 0.06 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.486 1.116 . . . . 1.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.498 ' OE2' ' CE ' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -91.59 165.6 13.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 0.776 . . . . 1.0 110.288 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.26 85.92 3.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 1.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.791 HD23 ' C ' ' A' ' 88' ' ' LEU . 1.8 tt -150.37 125.74 10.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 1.0 109.369 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.475 ' N ' HD23 ' A' ' 88' ' ' LEU . 31.4 mtt180 -135.2 144.43 46.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 1.0 110.26 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.463 ' CG1' ' HB3' ' A' ' 100' ' ' CYS . 12.1 t -71.62 127.96 34.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 1.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.74 HD12 HE22 ' A' ' 103' ' ' GLN . 3.1 mt -108.23 -30.59 8.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 1.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -131.25 166.37 22.83 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.502 1.126 . . . . 1.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -127.93 178.98 5.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 0.76 . . . . 1.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.666 ' ND2' ' CZ3' ' A' ' 110' ' ' TRP . 0.5 OUTLIER -86.17 -179.5 6.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.162 . . . . 1.0 109.352 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.431 ' CD2' ' H ' ' A' ' 95' ' ' HIS . 6.2 p80 -88.15 -42.7 12.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 1.0 109.582 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 57.1 m-20 -94.85 16.31 16.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.579 1.175 . . . . 1.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 50.25 66.32 2.43 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.5 1.125 . . . . 1.0 110.984 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -120.99 -49.01 2.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 1.0 110.331 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.548 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 7.8 m95 -127.87 175.08 8.62 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.986 -1.116 . . . . 1.0 107.986 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.463 ' HB3' ' CG1' ' A' ' 90' ' ' VAL . 18.2 m -136.18 139.42 42.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 1.0 108.305 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -88.56 130.67 35.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 1.0 110.264 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.711 ' HB3' HG11 ' A' ' 111' ' ' VAL . . . -135.16 164.11 28.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 1.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.74 HE22 HD12 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -120.8 173.8 6.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 1.0 110.283 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.961 HG21 HD21 ' A' ' 80' ' ' LEU . 1.5 p -135.11 155.0 51.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 1.0 110.414 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.498 ' CE ' ' OE2' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -40.17 -35.64 0.42 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 1.0 109.342 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -149.35 68.18 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 1.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' A' ' 104' ' ' THR . . . 157.73 161.02 10.58 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.504 1.127 . . . . 1.0 110.962 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.462 ' HG3' ' CG ' ' A' ' 103' ' ' GLN . 31.6 tt0 -152.25 147.36 26.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 0.748 . . . . 1.0 110.263 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.78 ' N ' HD12 ' A' ' 80' ' ' LEU . . . -177.38 -167.08 35.16 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.489 1.118 . . . . 1.0 111.004 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.666 ' CZ3' ' ND2' ' A' ' 94' ' ' ASN . 37.1 m95 -87.14 150.56 23.89 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.017 -1.105 . . . . 1.0 108.017 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.711 HG11 ' HB3' ' A' ' 102' ' ' ALA . 1.0 OUTLIER -147.59 129.49 7.48 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 1.0 109.289 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.548 ' HD3' ' CZ3' ' A' ' 99' ' ' TRP . 18.3 Cg_endo -74.98 142.04 27.45 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 1.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 116' ' ' ILE . 1.9 t -75.57 -24.0 56.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 1.0 110.037 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -69.6 -8.78 50.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 1.0 109.277 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.417 ' CE1' ' O ' ' A' ' 71' ' ' ASP . 1.0 OUTLIER -108.17 -17.58 13.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 1.0 111.012 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.624 HG23 ' O ' ' A' ' 67' ' ' VAL . 11.8 mt -114.69 147.48 18.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 1.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.478 ' CG2' ' HB2' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -124.25 159.26 57.93 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 1.0 110.41 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.448 ' HA ' ' HA ' ' A' ' 66' ' ' PHE . 18.3 Cg_endo -74.99 173.18 14.95 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.492 1.785 . . . . 1.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 65' ' ' LEU . 97.7 t -77.8 -111.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 1.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.647 ' N ' HG12 ' A' ' 119' ' ' VAL . 83.6 p . . . . . 0 C--O 1.25 1.094 0 CA-C-O 116.966 -1.493 . . . . 1.0 109.958 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 1.295 ' OG ' HG11 ' A' ' 119' ' ' VAL . 47.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.563 HD22 ' C ' ' A' ' 64' ' ' SER . 3.5 mm? -122.03 -178.19 3.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 109.33 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.494 ' N ' ' CD1' ' A' ' 66' ' ' PHE . 3.9 m-85 -116.9 162.19 18.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 1.0 110.992 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -128.13 142.24 44.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 1.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.686 ' HB2' ' HB3' ' A' ' 88' ' ' LEU . . . -70.44 142.12 52.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 1.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.636 HD12 ' CG2' ' A' ' 117' ' ' THR . 0.5 OUTLIER -98.51 -59.0 1.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 1.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -109.72 167.92 9.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 1.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.468 ' N ' ' OD1' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -86.55 178.12 7.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 1.0 109.286 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.537 ' CG ' ' O ' ' A' ' 80' ' ' LEU . 6.3 t80 -119.12 157.22 28.32 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.46 1.1 . . . . 1.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.7 t -118.31 143.76 28.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 1.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.75 103.99 1.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 1.0 109.344 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.6 t -150.06 124.59 9.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 1.0 109.987 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.87 -157.3 25.14 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.462 1.101 . . . . 1.0 111.019 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.69 -68.71 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.758 . . . . 1.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -76.99 83.25 3.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 1.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.496 HG23 ' CE1' ' A' ' 72' ' ' PHE . 0.3 OUTLIER -136.91 169.89 17.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 1.0 110.378 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.783 HD22 HD12 ' A' ' 82' ' ' ILE . 1.2 tt -135.01 117.8 16.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 1.0 109.332 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.8 m -95.03 107.43 19.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 1.0 109.996 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.783 HD12 HD22 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -120.74 169.91 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 1.0 109.334 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.4 m -114.59 161.51 17.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 1.0 110.371 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.555 ' O ' ' C ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -60.57 179.56 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 1.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.555 ' C ' ' O ' ' A' ' 84' ' ' LYS . . . 22.47 58.54 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.455 1.097 . . . . 1.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -125.65 152.59 45.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 1.0 110.282 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.402 ' HG3' ' NH2' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -69.32 81.48 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 1.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.686 ' HB3' ' HB2' ' A' ' 68' ' ' ALA . 1.8 tt -122.03 117.64 26.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 1.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.402 ' NH2' ' HG3' ' A' ' 87' ' ' LYS . 4.4 mtt85 -133.77 140.08 46.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 1.0 110.323 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.899 HG11 ' CE2' ' A' ' 93' ' ' TYR . 54.0 t -69.28 123.72 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 1.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.6 mt -105.06 -29.81 10.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 1.0 109.337 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -129.86 157.23 21.79 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.484 1.115 . . . . 1.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.899 ' CE2' HG11 ' A' ' 90' ' ' VAL . 1.1 m-85 -142.03 147.41 36.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.766 . . . . 1.0 111.021 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.574 ' ND2' ' O ' ' A' ' 99' ' ' TRP . 7.4 p30 -71.16 -151.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 1.0 109.273 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.465 ' N ' ' OD1' ' A' ' 94' ' ' ASN . 18.6 t-160 -121.71 -47.52 2.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 1.0 109.629 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.581 ' O ' ' C ' ' A' ' 97' ' ' GLY . 37.6 m-80 -84.72 45.2 1.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 1.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.581 ' C ' ' O ' ' A' ' 96' ' ' ASN . . . 19.55 56.64 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.501 1.125 . . . . 1.0 111.047 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 96' ' ' ASN . 0.6 OUTLIER -105.84 -59.61 1.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 0.782 . . . . 1.0 110.297 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.574 ' O ' ' ND2' ' A' ' 94' ' ' ASN . 13.5 m95 -136.79 154.03 50.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 1.0 108.007 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.566 ' HB3' ' CD1' ' A' ' 93' ' ' TYR . 0.9 OUTLIER -122.13 140.24 52.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 1.0 108.247 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -83.66 136.97 34.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 1.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -132.47 160.61 35.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 1.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -123.34 150.31 43.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 1.0 110.286 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.611 ' OG1' HD21 ' A' ' 80' ' ' LEU . 3.1 m -104.65 160.65 14.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 1.0 110.379 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 104' ' ' THR . 5.2 tptp -39.34 -53.61 1.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 1.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -133.97 55.03 1.92 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 1.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 178.87 -176.27 47.87 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.521 1.138 . . . . 1.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -150.39 179.32 8.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 0.781 . . . . 1.0 110.344 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 155.48 -179.99 31.03 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.541 1.151 . . . . 1.0 110.986 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -95.49 159.59 14.92 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.004 -1.11 . . . . 1.0 108.004 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.411 ' O ' ' O ' ' A' ' 100' ' ' CYS . 4.9 p -158.47 129.94 3.91 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 1.0 109.328 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.543 ' HG3' ' CH2' ' A' ' 99' ' ' TRP . 18.4 Cg_endo -74.93 144.61 30.71 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 1.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 116' ' ' ILE . 0.3 OUTLIER -73.86 -10.8 60.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 1.0 110.025 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -71.12 -28.09 64.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 1.0 109.257 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -102.93 2.24 34.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 1.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.467 HD13 ' HA ' ' A' ' 68' ' ' ALA . 7.7 mm -126.7 147.72 31.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 1.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.636 ' CG2' HD12 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -130.59 156.62 79.46 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 1.0 110.391 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.405 ' HA ' ' CD2' ' A' ' 66' ' ' PHE . 18.4 Cg_endo -74.95 -179.37 4.91 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.502 1.791 . . . . 1.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 1.295 HG11 ' OG ' ' A' ' 64' ' ' SER . 1.8 p -69.05 -103.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 1.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.757 ' N ' HG22 ' A' ' 119' ' ' VAL . 11.9 p . . . . . 0 C--O 1.25 1.097 0 CA-C-O 117.03 -1.462 . . . . 1.0 110.024 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.708 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 47.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.427 ' C ' HD13 ' A' ' 65' ' ' LEU . 0.9 OUTLIER -128.2 80.81 1.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 109.321 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.708 ' CE2' ' HB3' ' A' ' 64' ' ' SER . 0.4 OUTLIER -115.6 153.72 30.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 1.0 111.005 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.506 ' CG1' HG22 ' A' ' 119' ' ' VAL . 0.8 OUTLIER -104.62 153.29 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 1.0 109.356 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.772 ' HB2' ' HB3' ' A' ' 88' ' ' LEU . . . -68.89 125.39 26.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 1.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.557 HD12 ' HB ' ' A' ' 117' ' ' THR . 0.2 OUTLIER -77.8 -77.66 0.15 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 1.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.402 ' CE1' HD22 ' A' ' 69' ' ' LEU . 4.8 m-85 -105.1 178.27 4.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 1.0 110.997 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.536 ' N ' ' OD1' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -77.93 176.22 9.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 1.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.443 ' HE2' HG23 ' A' ' 79' ' ' THR . 27.9 t80 -124.18 167.04 14.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 1.0 111.029 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 13.1 p -125.38 154.93 34.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 1.0 109.348 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.68 145.63 50.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 1.0 109.316 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.557 ' N ' HG21 ' A' ' 79' ' ' THR . 0.2 OUTLIER -150.24 162.96 39.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 1.0 109.999 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.408 ' O ' ' CG ' ' A' ' 77' ' ' ASP . . . -107.61 56.25 0.49 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.499 1.125 . . . . 1.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 78' ' ' ASN . 4.5 m-20 -166.86 85.47 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 0.75 . . . . 1.0 109.335 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 77' ' ' ASP . 7.6 m120 38.99 68.29 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 1.0 109.334 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.557 HG21 ' N ' ' A' ' 75' ' ' SER . 0.4 OUTLIER -134.0 160.12 38.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 1.0 110.4 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.943 HD13 ' O ' ' A' ' 108' ' ' GLN . 2.4 tt -136.36 121.2 18.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 1.0 109.338 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.1 m -67.76 110.81 3.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 1.0 110.012 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.499 ' CD1' HD12 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -119.81 152.62 22.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 1.0 109.342 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.3 m -111.12 160.61 16.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.09 . . . . 1.0 110.405 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.47 ' O ' ' C ' ' A' ' 85' ' ' GLY . 4.4 pttt -62.25 -176.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 1.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 84' ' ' LYS . . . 32.18 38.47 0.05 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.461 1.101 . . . . 1.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 84' ' ' LYS . 5.1 tp10 -116.27 155.99 27.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 0.753 . . . . 1.0 110.33 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.7 mttp -72.8 89.66 1.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 1.0 109.328 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.772 ' HB3' ' HB2' ' A' ' 68' ' ' ALA . 2.9 tt -129.44 113.14 14.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 1.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.419 ' N ' HD23 ' A' ' 88' ' ' LEU . 4.2 mtp85 -136.0 139.23 43.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 1.0 110.285 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.578 ' HB ' ' CD2' ' A' ' 66' ' ' PHE . 92.9 t -71.33 111.05 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 1.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.691 HD13 ' CD ' ' A' ' 103' ' ' GLN . 0.8 OUTLIER -113.7 -7.84 13.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 1.0 109.29 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -153.48 168.29 32.09 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.469 1.106 . . . . 1.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.528 ' HH ' ' HE2' ' A' ' 66' ' ' PHE . 28.5 m-85 -131.5 176.99 7.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 0.755 . . . . 1.0 110.944 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.492 ' ND2' ' CZ3' ' A' ' 110' ' ' TRP . 0.5 OUTLIER -78.08 165.6 23.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 1.0 109.341 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -91.21 41.73 1.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 1.0 109.616 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -168.8 -53.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 1.0 109.334 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 124.99 55.95 0.17 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.519 1.137 . . . . 1.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.504 ' CG ' ' N ' ' A' ' 99' ' ' TRP . 12.6 pt-20 -120.04 -47.83 2.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.756 . . . . 1.0 110.282 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.564 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 8.0 m95 -133.02 174.54 10.25 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.996 -1.113 . . . . 1.0 107.996 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 35.6 m -135.5 132.71 37.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 1.0 108.295 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -85.01 151.18 24.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.079 . . . . 1.0 110.325 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -135.22 171.48 14.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 1.0 109.334 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.691 ' CD ' HD13 ' A' ' 91' ' ' LEU . 51.2 mt-30 -105.08 135.55 46.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 1.0 110.27 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.52 ' O ' ' C ' ' A' ' 105' ' ' LYS . 1.2 p -104.2 176.69 5.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 1.0 110.382 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.52 ' C ' ' O ' ' A' ' 104' ' ' THR . 0.0 OUTLIER -30.81 -54.22 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 1.0 109.277 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 21.4 m-20 -150.16 58.71 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 1.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 178.97 -136.54 2.9 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.514 1.133 . . . . 1.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.943 ' O ' HD13 ' A' ' 80' ' ' LEU . 4.5 mt-30 -133.26 -168.85 2.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 0.787 . . . . 1.0 110.272 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.438 ' HA2' ' HB3' ' A' ' 80' ' ' LEU . . . -176.56 128.79 1.39 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.468 1.105 . . . . 1.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.492 ' CZ3' ' ND2' ' A' ' 94' ' ' ASN . 37.5 m95 -92.81 129.43 38.74 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.959 -1.126 . . . . 1.0 107.959 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.58 HG23 ' HD2' ' A' ' 112' ' ' PRO . 6.8 p -160.78 141.71 8.73 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 1.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.58 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.4 Cg_endo -74.94 148.31 35.41 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.455 1.766 . . . . 1.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.15 -12.25 49.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 1.0 110.025 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.35 -39.99 77.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 1.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -95.7 13.69 25.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 1.0 111.024 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.514 HD13 ' HA ' ' A' ' 68' ' ' ALA . 10.8 mm -126.71 154.28 36.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 1.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.557 ' HB ' HD12 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -133.54 138.95 32.36 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 1.0 110.425 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.455 ' HA ' ' CB ' ' A' ' 66' ' ' PHE . 18.4 Cg_endo -75.05 175.23 11.52 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.519 1.8 . . . . 1.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.552 ' O ' HG12 ' A' ' 119' ' ' VAL . 83.4 t -113.92 4.55 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 1.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 10.5 t . . . . . 0 C--O 1.25 1.104 0 CA-C-O 117.032 -1.461 . . . . 1.0 109.998 -179.98 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 1.007 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 47.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.729 ' O ' HG23 ' A' ' 119' ' ' VAL . 4.3 mm? -110.64 64.47 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 109.343 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 1.007 ' CE2' ' HB3' ' A' ' 64' ' ' SER . 0.8 OUTLIER -108.19 158.66 17.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 1.0 111.006 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.613 ' O ' HG23 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -126.25 156.44 36.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 1.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.989 ' HB2' ' CD2' ' A' ' 88' ' ' LEU . . . -79.3 88.67 4.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 1.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 1.06 HD13 HG23 ' A' ' 117' ' ' THR . 0.3 OUTLIER -69.89 -44.98 68.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 1.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -103.7 165.5 11.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 1.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.53 156.24 20.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 1.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.755 ' CE1' ' HB2' ' A' ' 74' ' ' ALA . 12.1 t80 -138.15 117.92 13.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 1.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.415 ' O ' HG13 ' A' ' 73' ' ' VAL . 9.7 p -135.12 58.59 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 1.0 109.244 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.755 ' HB2' ' CE1' ' A' ' 72' ' ' PHE . . . -75.17 163.98 26.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 1.0 109.256 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.12 93.31 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 1.0 109.999 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -169.77 -131.81 1.37 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.505 1.128 . . . . 1.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -64.14 -167.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 0.755 . . . . 1.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -43.06 101.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 1.0 109.317 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.574 HG21 ' HB3' ' A' ' 74' ' ' ALA . 0.6 OUTLIER -147.49 158.1 43.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 1.0 110.423 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.924 HD22 ' CD1' ' A' ' 82' ' ' ILE . 1.7 tt -135.85 117.45 14.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 1.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 48.9 m -81.22 112.91 18.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 1.0 110.041 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.924 ' CD1' HD22 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -107.72 168.55 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 1.0 109.272 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.2 m -115.75 156.73 25.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 1.0 110.417 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 86' ' ' GLU . 1.0 OUTLIER -65.36 -177.81 0.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 1.0 109.355 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.417 ' N ' ' HE2' ' A' ' 84' ' ' LYS . . . 37.58 29.83 0.05 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.502 1.126 . . . . 1.0 110.957 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 84' ' ' LYS . 0.7 OUTLIER -109.65 159.79 16.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 0.779 . . . . 1.0 110.296 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.486 ' H ' ' CD ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -90.11 78.19 6.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 1.0 109.318 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.989 ' CD2' ' HB2' ' A' ' 68' ' ' ALA . 0.1 OUTLIER -127.13 126.13 42.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 1.0 109.29 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.462 ' CB ' ' O ' ' A' ' 66' ' ' PHE . 7.2 mtt180 -132.02 153.54 50.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 1.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.469 ' CG2' ' HB2' ' A' ' 100' ' ' CYS . 5.0 t -69.52 156.66 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 1.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.485 HD12 ' HG2' ' A' ' 103' ' ' GLN . 3.7 mt -118.0 -53.06 2.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 1.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -139.31 -173.91 13.31 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.551 1.157 . . . . 1.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -137.6 152.48 49.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 1.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.443 ' OD1' ' O ' ' A' ' 99' ' ' TRP . 0.4 OUTLIER -75.67 57.14 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 1.0 109.318 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.496 ' CG ' ' O ' ' A' ' 95' ' ' HIS . 77.0 t60 37.97 44.41 0.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 1.0 109.58 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 176.74 166.83 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 1.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -91.74 61.33 2.74 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.437 1.086 . . . . 1.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.32 -63.04 1.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 1.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.531 ' CZ2' ' HB3' ' A' ' 112' ' ' PRO . 13.2 m95 -133.32 159.36 40.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 1.0 108.025 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.469 ' HB2' ' CG2' ' A' ' 90' ' ' VAL . 2.2 m -136.92 127.09 26.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 1.0 108.326 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.474 ' HG3' ' CD1' ' A' ' 110' ' ' TRP . 11.5 tt0 -70.44 131.52 44.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 1.0 110.31 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.551 ' HB3' ' CG1' ' A' ' 111' ' ' VAL . . . -135.2 159.3 41.96 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.506 1.129 . . . . 1.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.602 ' O ' HD12 ' A' ' 88' ' ' LEU . 0.9 OUTLIER -107.68 177.01 4.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 1.0 110.319 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.425 ' OG1' HD12 ' A' ' 82' ' ' ILE . 1.8 m -135.0 157.36 47.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 1.0 110.401 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 104' ' ' THR . 1.9 pttp -39.84 -56.07 1.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 1.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.95 55.77 1.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 1.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 104' ' ' THR . . . 176.17 168.86 36.95 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.465 1.103 . . . . 1.0 110.982 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.888 ' C ' HD12 ' A' ' 80' ' ' LEU . 2.7 mt-30 -151.14 147.81 27.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 0.744 . . . . 1.0 110.337 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 178.41 -164.19 32.66 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.121 . . . . 1.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.474 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 7.5 m95 -99.47 145.79 27.06 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.005 -1.109 . . . . 1.0 108.005 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.594 ' CG2' ' CD1' ' A' ' 116' ' ' ILE . 1.9 m -137.58 136.16 19.97 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 1.0 109.246 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.575 ' HD3' ' CZ ' ' A' ' 72' ' ' PHE . 18.2 Cg_endo -74.98 140.75 25.89 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.511 1.795 . . . . 1.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.461 ' O ' ' O ' ' A' ' 116' ' ' ILE . 0.1 OUTLIER -76.09 -12.91 60.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 1.0 109.98 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.542 ' OD1' ' CD1' ' A' ' 115' ' ' TYR . 30.3 p30 -73.04 -15.28 61.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 1.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.542 ' CD1' ' OD1' ' A' ' 114' ' ' ASN . 3.1 m-30 -111.19 -6.04 14.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 1.0 111.054 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.613 HG23 ' O ' ' A' ' 67' ' ' VAL . 9.2 mt -129.69 144.9 36.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 1.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 1.06 HG23 HD13 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -131.45 158.86 74.12 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 1.0 110.458 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.539 ' HB3' ' CD1' ' A' ' 66' ' ' PHE . 18.3 Cg_endo -75.01 170.31 20.69 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.504 1.792 . . . . 1.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 65' ' ' LEU . 97.5 t -86.21 4.58 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 1.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 34.3 t . . . . . 0 C--O 1.249 1.064 0 CA-C-O 116.972 -1.49 . . . . 1.0 110.03 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.588 ' O ' HG23 ' A' ' 119' ' ' VAL . 3.6 mm? -95.26 169.25 10.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.567 ' CD1' ' HB ' ' A' ' 90' ' ' VAL . 0.6 OUTLIER -122.35 157.67 31.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 1.0 111.014 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.409 ' N ' ' O ' ' A' ' 117' ' ' THR . 0.0 OUTLIER -116.55 142.12 31.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 1.0 109.298 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 1.006 ' HB2' HD22 ' A' ' 88' ' ' LEU . . . -70.09 137.97 51.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 1.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.587 HD12 ' CG2' ' A' ' 117' ' ' THR . 0.5 OUTLIER -95.79 -65.3 0.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 1.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -107.16 176.86 5.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 1.0 111.019 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -99.93 172.47 7.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 1.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.634 ' CE1' HG21 ' A' ' 79' ' ' THR . 17.5 t80 -111.67 159.47 18.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 1.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.546 ' N ' ' CD1' ' A' ' 72' ' ' PHE . 11.7 p -115.75 114.85 47.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 1.0 109.307 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -45.05 124.6 4.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 1.0 109.259 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.0 p -150.0 -65.79 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 1.0 109.992 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -82.21 -176.19 51.1 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.516 1.135 . . . . 1.0 111.033 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -100.54 -56.42 2.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 1.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -62.93 -13.78 38.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 1.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.634 HG21 ' CE1' ' A' ' 72' ' ' PHE . 0.3 OUTLIER -69.87 171.86 8.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 1.0 110.383 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.515 ' N ' HG23 ' A' ' 79' ' ' THR . 1.2 tt -135.54 117.84 15.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 1.0 109.277 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.4 m -89.52 110.34 21.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 1.0 109.976 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.76 HG22 ' OE2' ' A' ' 86' ' ' GLU . 0.1 OUTLIER -115.9 176.58 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 1.0 109.323 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.5 m -119.75 153.25 35.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 1.0 110.37 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -62.71 -178.17 0.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 1.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 84' ' ' LYS . . . 36.14 32.73 0.05 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.473 1.108 . . . . 1.0 111.037 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.76 ' OE2' HG22 ' A' ' 82' ' ' ILE . 15.9 tt0 -105.59 166.78 10.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 0.798 . . . . 1.0 110.342 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.4 pttp -90.79 68.31 6.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 1.0 109.265 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 1.006 HD22 ' HB2' ' A' ' 68' ' ' ALA . 1.0 OUTLIER -111.42 123.63 50.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 1.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 -135.09 144.86 47.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 1.0 110.289 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.586 HG21 ' SG ' ' A' ' 100' ' ' CYS . 2.9 t -75.13 116.23 17.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 1.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.4 mt -115.32 7.98 15.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 1.0 109.332 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -146.58 151.1 23.41 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.483 1.114 . . . . 1.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -142.99 144.51 32.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 0.748 . . . . 1.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.544 ' OD1' ' CG ' ' A' ' 95' ' ' HIS . 0.3 OUTLIER -85.15 175.01 9.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.422 1.076 . . . . 1.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.544 ' CG ' ' OD1' ' A' ' 94' ' ' ASN . 4.6 p-80 -38.74 -73.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 1.0 109.6 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.45 ' H ' ' CD2' ' A' ' 95' ' ' HIS . 0.7 OUTLIER -80.8 -173.26 4.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 1.0 109.289 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -105.42 68.14 0.25 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.47 1.107 . . . . 1.0 111.03 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.34 -52.13 2.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 0.774 . . . . 1.0 110.316 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.48 ' CH2' ' HG3' ' A' ' 112' ' ' PRO . 22.7 m95 -125.78 153.51 43.91 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.985 -1.117 . . . . 1.0 107.985 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.586 ' SG ' HG21 ' A' ' 90' ' ' VAL . 0.8 OUTLIER -135.73 139.4 43.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 1.0 108.248 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -77.68 132.06 38.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 1.0 110.312 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.433 ' HB2' HG11 ' A' ' 111' ' ' VAL . . . -127.9 159.61 34.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 1.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -121.95 157.15 31.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 1.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.461 HG22 ' H ' ' A' ' 106' ' ' ASN . 77.0 m -135.49 145.49 47.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 1.0 110.427 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.04 -16.54 19.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 1.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.461 ' H ' HG22 ' A' ' 104' ' ' THR . 3.0 t-20 -91.8 -39.37 11.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 1.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 104' ' ' THR . . . -169.9 -144.89 4.46 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.552 1.158 . . . . 1.0 110.983 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.413 ' C ' HD12 ' A' ' 80' ' ' LEU . 1.9 tt0 -150.34 163.76 37.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 0.743 . . . . 1.0 110.293 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.454 ' N ' HD12 ' A' ' 80' ' ' LEU . . . 172.91 -169.23 42.38 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.534 1.146 . . . . 1.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 30.9 m95 -93.21 150.49 20.46 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.993 -1.114 . . . . 1.0 107.993 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.433 HG11 ' HB2' ' A' ' 102' ' ' ALA . 0.9 OUTLIER -147.57 126.91 6.42 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 1.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.48 ' HG3' ' CH2' ' A' ' 99' ' ' TRP . 18.4 Cg_endo -75.0 140.05 24.99 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.453 1.765 . . . . 1.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 116' ' ' ILE . 39.1 t -72.91 -5.09 36.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 1.0 110.014 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -71.23 -34.12 70.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 1.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -97.23 9.44 42.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 1.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.427 HD11 ' CG2' ' A' ' 111' ' ' VAL . 8.6 mt -135.29 157.01 39.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 1.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.587 ' CG2' HD12 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -134.0 154.06 80.07 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 1.0 110.388 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.417 ' HA ' ' HA ' ' A' ' 66' ' ' PHE . 18.5 Cg_endo -74.95 179.46 6.04 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.461 1.769 . . . . 1.0 111.03 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.681 HG12 ' N ' ' A' ' 120' ' ' SER . 83.5 t -101.24 -107.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 1.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.681 ' N ' HG12 ' A' ' 119' ' ' VAL . 30.3 m . . . . . 0 C--O 1.25 1.1 0 CA-C-O 116.999 -1.477 . . . . 1.0 109.985 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.928 ' O ' HG23 ' A' ' 119' ' ' VAL . 4.1 mm? -83.05 170.63 14.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.565 ' CD1' ' HB3' ' A' ' 118' ' ' PRO . 1.2 m-85 -122.47 158.28 30.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 1.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -115.83 141.18 34.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 1.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 1.009 ' HB2' HD22 ' A' ' 88' ' ' LEU . . . -69.93 132.35 45.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 1.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.651 ' CD1' HG21 ' A' ' 117' ' ' THR . 1.1 mt -95.35 -77.04 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 1.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -86.26 148.24 25.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 1.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.1 p30 -72.43 -177.29 2.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.153 . . . . 1.0 109.334 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.499 ' CE1' HG23 ' A' ' 79' ' ' THR . 3.8 t80 -129.82 141.91 50.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 1.0 111.007 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.8 p -118.66 122.95 70.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 1.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.04 139.39 17.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 1.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.4 m -148.6 -66.64 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 1.0 109.962 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -111.51 172.79 15.21 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 1.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 78' ' ' ASN . 42.0 m-20 -58.76 173.3 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 1.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 77' ' ' ASP . 1.2 t-20 39.17 82.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 1.0 109.31 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.499 HG23 ' CE1' ' A' ' 72' ' ' PHE . 0.3 OUTLIER -149.28 169.72 20.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 1.0 110.434 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.616 HD12 ' N ' ' A' ' 109' ' ' GLY . 1.3 tt -135.39 117.76 15.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 1.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.0 m -99.26 111.79 24.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 1.0 109.997 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.562 ' CG1' HD22 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -128.89 -176.67 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 1.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.434 HG22 ' H ' ' A' ' 84' ' ' LYS . 16.1 m -108.43 171.68 7.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 1.0 110.43 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -75.88 165.05 25.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 1.0 109.327 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 37.49 31.02 0.06 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.497 1.123 . . . . 1.0 110.983 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 84' ' ' LYS . 4.4 tp10 -91.03 148.64 22.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 1.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -69.86 91.52 0.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 1.0 109.265 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 1.009 HD22 ' HB2' ' A' ' 68' ' ' ALA . 0.5 OUTLIER -145.6 130.04 17.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 1.0 109.285 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.6 mtp180 -135.13 149.96 50.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 1.0 110.322 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.473 ' CG1' ' HB3' ' A' ' 100' ' ' CYS . 5.1 t -69.78 134.82 29.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 1.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.2 mt -108.72 -36.7 6.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 1.0 109.334 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -132.06 172.85 20.9 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.495 1.122 . . . . 1.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.466 ' HH ' ' HE2' ' A' ' 66' ' ' PHE . 28.1 m-85 -131.25 171.97 12.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 0.757 . . . . 1.0 111.037 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.65 ' ND2' ' CH2' ' A' ' 110' ' ' TRP . 0.5 OUTLIER -80.91 137.27 36.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.108 . . . . 1.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.568 ' CD2' ' N ' ' A' ' 95' ' ' HIS . 0.0 OUTLIER -36.84 -69.33 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 1.0 109.565 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -59.73 -59.81 4.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 1.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 131.71 68.8 0.09 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.48 1.112 . . . . 1.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.564 ' HG3' ' CD1' ' A' ' 99' ' ' TRP . 1.2 tp10 -120.48 -58.5 1.84 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 0.763 . . . . 1.0 110.29 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.564 ' CD1' ' HG3' ' A' ' 98' ' ' GLU . 14.3 m0 -120.46 179.25 4.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 1.0 107.983 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.473 ' HB3' ' CG1' ' A' ' 90' ' ' VAL . 69.5 m -136.59 139.69 42.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 1.0 108.3 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -86.96 133.12 33.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 1.0 110.284 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.434 ' O ' ' CD1' ' A' ' 80' ' ' LEU . . . -135.69 158.85 43.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 1.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.443 ' HB3' ' CG ' ' A' ' 108' ' ' GLN . 2.9 pt20 -125.92 167.19 15.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 1.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.612 ' CG2' HD21 ' A' ' 80' ' ' LEU . 6.5 p -131.74 173.49 11.1 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.556 1.16 . . . . 1.0 110.4 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.49 ' C ' ' O ' ' A' ' 104' ' ' THR . 0.2 OUTLIER -32.9 -69.43 0.09 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 1.0 109.251 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -131.68 53.81 1.97 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 1.0 109.316 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.483 ' O ' ' N ' ' A' ' 104' ' ' THR . . . -169.08 128.53 1.7 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.532 1.145 . . . . 1.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.443 ' CG ' ' HB3' ' A' ' 103' ' ' GLN . 9.4 mp0 -122.12 157.68 30.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 0.769 . . . . 1.0 110.256 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.616 ' N ' HD12 ' A' ' 80' ' ' LEU . . . 169.24 -173.54 43.65 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.546 1.154 . . . . 1.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.65 ' CH2' ' ND2' ' A' ' 94' ' ' ASN . 28.7 m95 -87.96 160.99 17.67 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.009 -1.108 . . . . 1.0 108.009 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.42 HG21 HD11 ' A' ' 116' ' ' ILE . 3.6 p -159.83 131.49 4.06 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 1.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.527 ' HB3' ' CE2' ' A' ' 99' ' ' TRP . 18.3 Cg_endo -74.99 145.4 31.44 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.45 1.763 . . . . 1.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.16 -21.57 58.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 1.0 110.012 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.431 ' ND2' ' HB2' ' A' ' 112' ' ' PRO . 1.8 p30 -69.7 -12.94 62.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 1.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -104.87 -13.32 15.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 1.0 111.036 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.42 HD11 HG21 ' A' ' 111' ' ' VAL . 62.4 mt -117.07 149.98 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 1.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.651 HG21 ' CD1' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -128.9 147.22 63.76 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 1.0 110.398 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.565 ' HB3' ' CD1' ' A' ' 66' ' ' PHE . 18.3 Cg_endo -74.98 175.23 11.5 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.536 1.809 . . . . 1.0 110.994 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.928 HG23 ' O ' ' A' ' 65' ' ' LEU . 93.1 t -81.15 -111.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 1.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.646 ' N ' HG12 ' A' ' 119' ' ' VAL . 15.2 p . . . . . 0 C--O 1.25 1.094 0 CA-C-O 117.008 -1.472 . . . . 1.0 110.015 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.508 ' C ' HD22 ' A' ' 65' ' ' LEU . 47.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.599 ' O ' HG23 ' A' ' 119' ' ' VAL . 3.3 mm? -120.12 -175.02 2.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.501 ' HA ' HG23 ' A' ' 119' ' ' VAL . 7.1 m-85 -112.04 163.4 14.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 1.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.591 HG22 HG22 ' A' ' 119' ' ' VAL . 0.0 OUTLIER -121.79 147.8 25.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 1.0 109.319 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.974 ' HB2' HD22 ' A' ' 88' ' ' LEU . . . -71.09 123.98 23.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 1.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.663 HD12 HG22 ' A' ' 117' ' ' THR . 0.3 OUTLIER -80.46 -78.39 0.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 1.0 109.288 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -102.46 169.42 8.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 1.0 110.99 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.498 ' CG ' ' N ' ' A' ' 72' ' ' PHE . 0.0 OUTLIER -86.09 169.41 13.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 1.0 109.345 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.608 ' CZ ' ' O ' ' A' ' 73' ' ' VAL . 0.3 OUTLIER -104.23 146.77 28.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 1.0 111.006 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.608 ' O ' ' CZ ' ' A' ' 72' ' ' PHE . 74.6 t -101.06 153.82 4.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 1.0 109.349 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -44.35 128.31 6.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 1.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 26.8 m -150.11 -174.74 4.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 1.0 109.997 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -148.56 170.78 29.02 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.532 1.145 . . . . 1.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 78' ' ' ASN . 23.7 m-20 57.87 107.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 0.784 . . . . 1.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 77' ' ' ASP . 4.4 p30 39.48 81.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 1.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.452 HG23 ' N ' ' A' ' 80' ' ' LEU . 0.3 OUTLIER -138.01 167.62 21.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 1.0 110.38 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.802 HD22 HG12 ' A' ' 82' ' ' ILE . 1.8 tt -135.9 118.32 15.77 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.479 1.112 . . . . 1.0 109.262 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.569 ' HA ' ' CD1' ' A' ' 72' ' ' PHE . 50.8 m -90.99 108.07 19.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 1.0 110.01 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.973 HD13 HD13 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -133.41 162.54 39.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 1.0 109.279 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.436 HG22 ' H ' ' A' ' 84' ' ' LYS . 6.1 m -105.58 172.86 6.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 1.0 110.409 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -75.39 163.43 27.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 1.0 109.301 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 37.55 30.9 0.06 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.517 1.136 . . . . 1.0 111.02 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 84' ' ' LYS . 1.9 tt0 -88.08 150.51 23.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 0.766 . . . . 1.0 110.295 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -76.3 83.99 3.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 1.0 109.327 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.974 HD22 ' HB2' ' A' ' 68' ' ' ALA . 1.2 tt -131.54 133.63 45.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 1.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' A' ' 66' ' ' PHE . 20.2 mmm-85 -135.01 139.93 45.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 1.0 110.286 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.477 HG11 ' CB ' ' A' ' 100' ' ' CYS . 3.2 t -77.33 118.04 23.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 1.0 109.341 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.3 mt -112.82 -6.31 13.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 1.0 109.28 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -125.87 145.8 15.9 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.471 1.107 . . . . 1.0 110.958 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -123.83 156.0 36.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 0.79 . . . . 1.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.482 ' ND2' ' H ' ' A' ' 99' ' ' TRP . 23.6 p-10 -105.89 171.49 7.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 1.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -135.25 20.56 3.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 1.0 109.595 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.54 ' ND2' ' N ' ' A' ' 97' ' ' GLY . 0.0 OUTLIER -101.93 -54.95 2.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 1.0 109.255 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.54 ' N ' ' ND2' ' A' ' 96' ' ' ASN . . . -142.87 -119.51 1.44 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.467 1.104 . . . . 1.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -121.95 68.03 0.92 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 0.759 . . . . 1.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.524 ' CH2' ' HG3' ' A' ' 112' ' ' PRO . 41.9 m95 -136.27 148.3 47.94 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.013 -1.106 . . . . 1.0 108.013 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.477 ' CB ' HG11 ' A' ' 90' ' ' VAL . 2.3 m -135.78 136.54 40.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 1.0 108.271 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -71.66 132.94 45.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 1.0 110.277 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.562 ' HB3' HD13 ' A' ' 80' ' ' LEU . . . -120.74 155.07 34.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 1.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -125.17 131.09 53.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 1.0 110.291 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.895 HG22 ' H ' ' A' ' 106' ' ' ASN . 7.6 m -106.26 139.84 40.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.078 . . . . 1.0 110.414 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -15.44 9.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 1.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.895 ' H ' HG22 ' A' ' 104' ' ' THR . 0.0 OUTLIER -96.3 -39.44 9.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 1.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.488 ' O ' ' O ' ' A' ' 104' ' ' THR . . . -160.8 -139.59 2.69 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.485 1.115 . . . . 1.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.403 ' C ' ' HG ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -150.86 174.15 13.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 0.75 . . . . 1.0 110.268 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.727 ' C ' HD12 ' A' ' 80' ' ' LEU . . . 167.4 -167.68 40.06 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.458 1.099 . . . . 1.0 111.028 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 15.8 m95 -107.67 153.76 22.45 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.985 -1.117 . . . . 1.0 107.985 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.442 HG12 ' O ' ' A' ' 100' ' ' CYS . 1.1 p -146.56 126.13 6.68 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 1.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.524 ' HG3' ' CH2' ' A' ' 99' ' ' TRP . 18.1 Cg_endo -75.04 151.42 39.31 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.486 1.782 . . . . 1.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.467 ' O ' ' O ' ' A' ' 116' ' ' ILE . 0.1 OUTLIER -72.56 -17.76 61.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 1.0 109.959 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.53 ' OD1' ' CD1' ' A' ' 115' ' ' TYR . 25.2 p30 -71.56 -16.91 62.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 1.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.737 ' O ' HD13 ' A' ' 116' ' ' ILE . 6.2 m-30 -114.16 -4.8 13.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 1.0 111.029 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.737 HD13 ' O ' ' A' ' 115' ' ' TYR . 8.6 mm -131.5 142.36 43.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 1.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.663 HG22 HD12 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -123.93 156.19 66.05 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 1.0 110.403 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.471 ' HB3' ' CD2' ' A' ' 66' ' ' PHE . 18.3 Cg_endo -74.99 178.78 6.81 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.56 1.821 . . . . 1.0 110.976 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 65' ' ' LEU . 66.9 t -109.17 4.72 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 1.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 88.7 p . . . . . 0 C--O 1.25 1.08 0 CA-C-O 116.984 -1.484 . . . . 1.0 110.006 -180.0 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -103.87 136.48 43.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 109.306 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.412 ' CD1' ' N ' ' A' ' 66' ' ' PHE . 16.4 m-85 -129.64 164.76 23.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 1.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -129.96 158.41 42.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 1.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.825 ' HB2' ' HB3' ' A' ' 88' ' ' LEU . . . -69.58 131.22 44.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 1.0 109.276 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.504 ' HG ' ' CG2' ' A' ' 117' ' ' THR . 0.3 OUTLIER -76.44 -72.44 0.33 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 1.0 109.324 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.464 ' CE2' HD22 ' A' ' 69' ' ' LEU . 53.7 m-85 -117.05 -179.28 3.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 1.0 111.052 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.68 161.35 29.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 1.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.983 ' CZ ' ' HB2' ' A' ' 74' ' ' ALA . 85.1 t80 -121.27 128.57 52.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 1.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.2 t -135.36 78.53 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 1.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.983 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . . . -75.55 -171.02 1.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 1.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.7 p -150.53 -46.51 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 1.0 110.004 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -64.63 176.39 10.96 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.532 1.145 . . . . 1.0 111.023 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.402 ' C ' ' CG ' ' A' ' 78' ' ' ASN . 0.6 OUTLIER -68.07 -176.23 0.68 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 0.742 . . . . 1.0 109.311 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.402 ' CG ' ' C ' ' A' ' 77' ' ' ASP . 1.0 OUTLIER 40.52 72.27 0.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 1.0 109.277 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.71 HG21 ' HB3' ' A' ' 74' ' ' ALA . 0.3 OUTLIER -148.42 156.9 43.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 1.0 110.388 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.85 HD12 ' C ' ' A' ' 108' ' ' GLN . 2.1 tt -133.7 115.58 14.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 1.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.0 m -78.18 109.51 12.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 1.0 110.05 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.789 HD12 ' HB3' ' A' ' 72' ' ' PHE . 0.4 OUTLIER -127.21 154.39 37.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 1.0 109.241 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.6 m -104.95 157.31 17.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 1.0 110.411 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.07 174.95 2.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 1.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 49.36 21.34 2.88 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.482 1.114 . . . . 1.0 110.971 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -110.5 172.32 6.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 0.753 . . . . 1.0 110.293 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.1 mttm -69.36 87.75 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 1.0 109.244 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.825 ' HB3' ' HB2' ' A' ' 68' ' ' ALA . 0.6 OUTLIER -137.63 110.06 7.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 1.0 109.317 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.88 144.97 51.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 1.0 110.331 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.651 HG13 ' SG ' ' A' ' 100' ' ' CYS . 39.3 t -71.0 121.59 21.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 1.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.616 HD12 ' HB3' ' A' ' 103' ' ' GLN . 2.1 mt -107.33 -25.25 11.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 1.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.401 ' O ' ' SG ' ' A' ' 100' ' ' CYS . . . -162.0 163.17 34.68 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.439 1.087 . . . . 1.0 111.007 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -119.53 -171.81 2.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 1.0 111.028 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.644 ' ND2' ' CZ3' ' A' ' 110' ' ' TRP . 0.6 OUTLIER -83.66 179.45 7.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 1.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -91.99 -45.09 8.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 1.0 109.554 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.524 ' H ' ' ND2' ' A' ' 96' ' ' ASN . 1.1 p30 -92.55 29.38 1.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 1.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 96' ' ' ASN . . . 37.21 68.21 0.38 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.457 1.098 . . . . 1.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.47 -52.9 2.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 1.0 110.299 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.583 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 7.4 m95 -127.93 -174.53 3.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 1.0 107.996 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.651 ' SG ' HG13 ' A' ' 90' ' ' VAL . 10.3 t -136.14 151.86 50.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 1.0 108.332 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -115.62 145.04 43.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 1.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.412 ' HB3' HD21 ' A' ' 88' ' ' LEU . . . -135.28 157.05 47.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 1.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.616 ' HB3' HD12 ' A' ' 91' ' ' LEU . 42.6 tt0 -105.26 143.99 32.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 1.0 110.287 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.458 ' O ' ' C ' ' A' ' 105' ' ' LYS . 53.5 m -103.47 164.56 11.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 1.0 110.358 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 104' ' ' THR . 6.9 mtpp -34.44 -45.01 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 1.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -149.68 64.44 1.0 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 1.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 166.91 -166.58 39.22 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.513 1.133 . . . . 1.0 111.031 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.85 ' C ' HD12 ' A' ' 80' ' ' LEU . 4.2 mt-30 -152.78 148.76 27.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 0.796 . . . . 1.0 110.237 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.463 ' HA3' ' CB ' ' A' ' 80' ' ' LEU . . . -143.55 179.31 21.09 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.479 1.112 . . . . 1.0 111.045 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.644 ' CZ3' ' ND2' ' A' ' 94' ' ' ASN . 21.0 m95 -114.5 143.54 44.79 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.024 -1.102 . . . . 1.0 108.024 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.861 HG13 HD11 ' A' ' 116' ' ' ILE . 3.1 p -160.18 134.31 5.19 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 1.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.583 ' HD3' ' CZ3' ' A' ' 99' ' ' TRP . 18.3 Cg_endo -75.02 147.81 34.35 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.477 1.778 . . . . 1.0 110.955 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.51 -14.49 19.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 1.0 109.999 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -69.26 -37.75 78.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 1.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.45 ' CD2' ' HG2' ' A' ' 112' ' ' PRO . 11.2 m-85 -94.93 4.87 53.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 1.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.861 HD11 HG13 ' A' ' 111' ' ' VAL . 11.1 mt -115.09 150.43 17.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 1.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.504 ' CG2' ' HG ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -128.81 157.9 74.03 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 1.0 110.399 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 178.49 7.18 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.487 1.783 . . . . 1.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.77 HG22 ' N ' ' A' ' 120' ' ' SER . 1.5 p -68.45 -101.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 1.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.77 ' N ' HG22 ' A' ' 119' ' ' VAL . 75.5 m . . . . . 0 C--O 1.249 1.076 0 CA-C-O 117.02 -1.467 . . . . 1.0 109.993 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.424 ' HB3' ' CE2' ' A' ' 66' ' ' PHE . 47.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.901 ' O ' HG23 ' A' ' 119' ' ' VAL . 0.8 OUTLIER -126.42 118.54 25.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 109.331 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.556 ' N ' HD13 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -120.53 146.59 46.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 1.0 110.999 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' A' ' 117' ' ' THR . 0.7 OUTLIER -104.83 153.67 6.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 1.0 109.324 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.959 ' HB2' HD22 ' A' ' 88' ' ' LEU . . . -69.88 129.13 38.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 1.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.679 HD12 ' CG2' ' A' ' 117' ' ' THR . 0.2 OUTLIER -87.93 -62.84 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 1.0 109.275 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -110.58 165.27 11.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 1.0 111.05 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -74.87 -169.93 0.99 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 1.0 109.345 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.657 ' HB2' HD12 ' A' ' 82' ' ' ILE . 1.0 OUTLIER -147.4 137.94 23.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 1.0 110.987 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 75' ' ' SER . 7.1 p -103.22 146.9 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 1.0 109.36 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.464 ' HB2' ' OG ' ' A' ' 81' ' ' SER . . . -70.45 60.08 0.2 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 1.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 73' ' ' VAL . 38.3 t -151.52 109.16 3.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 1.0 110.002 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 77' ' ' ASP . . . 156.15 43.19 0.02 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 1.0 110.958 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.442 ' O ' ' O ' ' A' ' 76' ' ' GLY . 0.2 OUTLIER 43.02 95.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 0.768 . . . . 1.0 109.335 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 61.18 96.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 1.0 109.276 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.643 HG23 ' N ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -148.64 179.04 8.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 1.0 110.376 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.659 HD12 ' C ' ' A' ' 108' ' ' GLN . 1.7 tt -131.9 120.05 22.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 1.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.464 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 8.7 m -87.16 111.85 21.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 1.0 109.986 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.657 HD12 ' HB2' ' A' ' 72' ' ' PHE . 0.1 OUTLIER -119.72 177.33 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 1.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.9 m -104.47 158.06 16.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 1.0 110.405 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -72.48 165.92 23.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 1.0 109.278 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 40.0 28.1 0.14 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.524 1.14 . . . . 1.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 84' ' ' LYS . 0.3 OUTLIER -97.07 175.19 6.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 0.792 . . . . 1.0 110.3 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.91 85.57 5.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 1.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.959 HD22 ' HB2' ' A' ' 68' ' ' ALA . 1.8 tt -143.02 119.72 11.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 1.0 109.332 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.699 ' HD3' HD11 ' A' ' 65' ' ' LEU . 9.1 mtt-85 -135.72 131.14 35.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 1.0 110.346 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.542 HG22 ' HB2' ' A' ' 102' ' ' ALA . 2.6 t -68.81 115.77 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 1.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.9 mt -118.99 14.13 13.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 1.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -141.33 145.08 15.38 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.495 1.122 . . . . 1.0 110.965 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -143.83 134.69 25.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 0.805 . . . . 1.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 99' ' ' TRP . 2.8 p30 -69.56 -168.05 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 1.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 96' ' ' ASN . 9.9 p-80 -85.43 -67.41 0.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 1.0 109.609 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.433 ' N ' ' OD1' ' A' ' 94' ' ' ASN . 75.4 m-80 -40.2 -70.06 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 1.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.428 ' CA ' HD21 ' A' ' 94' ' ' ASN . . . 123.79 38.3 0.54 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.505 1.128 . . . . 1.0 110.98 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -105.85 -35.75 7.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 0.738 . . . . 1.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.575 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 15.4 m95 -131.29 156.52 45.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 1.0 108.001 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.431 ' HB2' ' CG1' ' A' ' 90' ' ' VAL . 0.8 OUTLIER -135.56 137.61 42.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 1.0 108.303 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -79.76 140.36 36.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 1.0 110.315 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.64 ' HB2' HG11 ' A' ' 111' ' ' VAL . . . -128.48 156.06 43.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 1.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.4 ' HG2' ' NE2' ' A' ' 108' ' ' GLN . 5.2 mt-30 -121.48 129.5 52.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 1.0 110.351 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 36.8 p -129.05 164.38 23.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 1.0 110.385 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -68.82 -25.25 64.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 1.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 -73.31 -26.18 60.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.595 1.184 . . . . 1.0 109.27 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.427 ' C ' HD11 ' A' ' 80' ' ' LEU . . . 159.77 -146.32 12.59 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 1.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.659 ' C ' HD12 ' A' ' 80' ' ' LEU . 32.9 mt-30 -146.49 129.53 16.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 0.76 . . . . 1.0 110.267 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -153.45 -166.87 15.09 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.495 1.122 . . . . 1.0 111.034 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.409 ' CE3' ' HB3' ' A' ' 99' ' ' TRP . 51.2 m95 -90.31 157.01 17.86 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.011 -1.107 . . . . 1.0 108.011 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.64 HG11 ' HB2' ' A' ' 102' ' ' ALA . 4.0 p -160.31 124.44 2.05 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 1.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.575 ' HD3' ' CZ3' ' A' ' 99' ' ' TRP . 18.3 Cg_endo -74.94 146.06 32.45 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.463 1.77 . . . . 1.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.544 ' HA ' HD11 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -62.13 -15.47 45.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 1.0 110.008 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -76.98 -16.26 59.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 1.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -99.65 -4.83 30.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 1.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.879 HG22 ' HA ' ' A' ' 68' ' ' ALA . 2.0 pp -133.87 161.08 41.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 1.0 109.275 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.679 ' CG2' HD12 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -141.99 154.83 65.56 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 1.0 110.395 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 167.82 26.12 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.451 1.764 . . . . 1.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.901 HG23 ' O ' ' A' ' 65' ' ' LEU . 89.7 t -73.89 -110.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 1.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.638 ' N ' HG12 ' A' ' 119' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.114 0 CA-C-O 117.009 -1.472 . . . . 1.0 109.973 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.792 ' HB3' ' CZ ' ' A' ' 66' ' ' PHE . 47.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.607 ' O ' HG23 ' A' ' 119' ' ' VAL . 4.3 mm? -103.3 109.88 21.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.792 ' CZ ' ' HB3' ' A' ' 64' ' ' SER . 1.5 m-85 -115.84 158.1 23.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 1.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.461 ' HA ' ' O ' ' A' ' 88' ' ' LEU . 0.0 OUTLIER -129.28 139.71 51.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 1.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.757 ' HB2' ' HB3' ' A' ' 88' ' ' LEU . . . -68.0 138.01 55.55 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 1.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.666 ' CD1' HG21 ' A' ' 117' ' ' THR . 0.6 OUTLIER -91.71 -50.47 5.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 1.0 109.289 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -116.71 177.56 4.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 1.0 111.047 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -71.92 -176.22 1.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 1.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.655 ' CZ ' HG23 ' A' ' 79' ' ' THR . 0.3 OUTLIER -102.66 161.3 13.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 1.0 110.991 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.614 ' O ' ' CE1' ' A' ' 72' ' ' PHE . 61.6 t -135.16 154.46 36.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 1.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -44.56 164.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 1.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -148.28 -172.5 4.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 1.0 110.004 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -83.89 -129.72 1.73 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.49 1.119 . . . . 1.0 110.99 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 78' ' ' ASN . 12.1 t0 -71.18 59.5 0.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 0.752 . . . . 1.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.496 ' CB ' ' O ' ' A' ' 77' ' ' ASP . 5.5 p30 154.95 118.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 1.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.655 HG23 ' CZ ' ' A' ' 72' ' ' PHE . 0.6 OUTLIER -138.69 149.21 44.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 1.0 110.363 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.811 HD22 HG12 ' A' ' 82' ' ' ILE . 1.8 tt -136.08 114.96 12.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 1.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.6 m -79.58 104.23 10.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 1.0 109.983 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.926 ' HB ' HD11 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -135.07 157.15 40.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 1.0 109.283 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.5 m -121.77 153.22 38.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 1.0 110.405 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -62.38 -177.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 1.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 84' ' ' LYS . . . 33.49 51.63 0.57 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.46 1.1 . . . . 1.0 110.983 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -145.74 175.29 10.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 0.761 . . . . 1.0 110.37 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.52 84.25 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 1.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.926 HD11 ' HB ' ' A' ' 82' ' ' ILE . 0.1 OUTLIER -122.81 97.83 5.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 1.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.3 129.2 41.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 1.0 110.257 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.594 HG11 ' CE1' ' A' ' 93' ' ' TYR . 41.6 t -69.5 135.75 27.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 1.0 109.255 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.6 mt -110.77 -38.19 5.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 1.0 109.343 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -131.81 166.24 23.14 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.466 1.104 . . . . 1.0 110.986 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.594 ' CE1' HG11 ' A' ' 90' ' ' VAL . 9.0 m-85 -129.48 163.93 24.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 0.783 . . . . 1.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.482 ' OD1' ' N ' ' A' ' 97' ' ' GLY . 20.3 p-10 -80.88 -156.85 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 1.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.418 ' N ' ' CG ' ' A' ' 94' ' ' ASN . 0.2 OUTLIER -108.06 -31.96 7.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 1.0 109.616 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.542 ' O ' ' C ' ' A' ' 97' ' ' GLY . 18.8 t-20 -90.59 31.39 1.04 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 1.0 109.246 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.542 ' C ' ' O ' ' A' ' 96' ' ' ASN . . . 24.6 50.83 0.03 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.482 1.114 . . . . 1.0 110.982 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 96' ' ' ASN . 0.4 OUTLIER -122.51 -54.06 1.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 0.743 . . . . 1.0 110.259 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.549 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 16.8 m95 -107.44 160.37 15.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 1.0 108.036 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.513 ' SG ' ' CD2' ' A' ' 93' ' ' TYR . 55.3 m -136.01 139.23 42.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 1.0 108.272 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.402 ' OE2' ' O ' ' A' ' 109' ' ' GLY . 17.2 tp10 -77.18 128.03 33.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 1.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.738 ' HB3' ' CG1' ' A' ' 111' ' ' VAL . . . -117.89 165.13 14.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 1.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -127.55 147.06 50.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 1.0 110.277 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.727 HG22 ' H ' ' A' ' 106' ' ' ASN . 0.9 OUTLIER -104.54 146.85 28.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 1.0 110.383 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 104' ' ' THR . 0.0 OUTLIER -36.87 -38.11 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 1.0 109.285 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.727 ' H ' HG22 ' A' ' 104' ' ' THR . 5.2 m120 -146.86 53.18 1.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 1.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.405 ' C ' ' HB ' ' A' ' 104' ' ' THR . . . 177.02 -172.66 45.6 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.539 1.149 . . . . 1.0 110.961 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -150.33 176.72 10.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 1.0 110.306 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.721 ' C ' HD12 ' A' ' 80' ' ' LEU . . . 158.3 179.58 33.28 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.472 1.108 . . . . 1.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.414 ' C ' ' CG1' ' A' ' 111' ' ' VAL . 26.1 m95 -97.61 150.69 20.87 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.003 -1.11 . . . . 1.0 108.003 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.738 ' CG1' ' HB3' ' A' ' 102' ' ' ALA . 0.9 OUTLIER -149.59 132.97 8.47 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.155 . . . . 1.0 109.288 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.549 ' HD3' ' CZ3' ' A' ' 99' ' ' TRP . 18.3 Cg_endo -75.02 139.83 24.68 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.459 1.768 . . . . 1.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 116' ' ' ILE . 0.5 OUTLIER -75.6 -9.05 58.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 1.0 110.023 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -72.68 -24.57 61.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 1.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -99.16 -2.48 36.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 1.0 111.014 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.474 HD12 HG23 ' A' ' 111' ' ' VAL . 39.8 mt -124.73 150.66 29.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 1.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.666 HG21 ' CD1' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -131.99 157.89 76.99 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 1.0 110.417 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 175.6 11.03 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.535 1.808 . . . . 1.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 65' ' ' LEU . 50.5 t -99.18 4.24 10.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.428 1.08 . . . . 1.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 83.8 p . . . . . 0 C--O 1.251 1.136 0 CA-C-O 117.0 -1.476 . . . . 1.0 110.007 180.0 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.415 ' C ' HD22 ' A' ' 65' ' ' LEU . 47.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.415 HD22 ' C ' ' A' ' 64' ' ' SER . 3.5 mm? -114.57 119.44 36.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 109.345 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.481 ' N ' ' CD1' ' A' ' 66' ' ' PHE . 0.2 OUTLIER -116.45 152.01 34.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 1.0 111.028 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 117' ' ' THR . 0.7 OUTLIER -118.22 146.08 23.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 1.0 109.325 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.723 ' HB2' HD22 ' A' ' 88' ' ' LEU . . . -66.24 129.35 39.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 1.0 109.262 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.663 HD12 ' HB ' ' A' ' 117' ' ' THR . 0.2 OUTLIER -75.55 -60.63 2.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 1.0 109.294 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -112.68 163.95 13.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 1.0 110.994 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 17.1 p30 -72.54 174.95 6.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 1.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.897 ' CE1' ' HB3' ' A' ' 74' ' ' ALA . 3.8 t80 -121.31 121.24 37.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 1.0 110.961 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.586 HG22 ' O ' ' A' ' 73' ' ' VAL . 7.9 p -135.09 23.87 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 1.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.897 ' HB3' ' CE1' ' A' ' 72' ' ' PHE . . . -75.29 176.02 7.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 1.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.6 t -150.14 171.8 16.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 1.0 109.966 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 77' ' ' ASP . . . 112.37 -140.34 16.18 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.464 1.103 . . . . 1.0 111.004 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 78' ' ' ASN . 1.8 p30 -52.21 -176.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 0.79 . . . . 1.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 77' ' ' ASP . 4.2 m-80 -38.73 129.01 1.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 1.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.494 HG23 ' CE1' ' A' ' 72' ' ' PHE . 0.5 OUTLIER -146.01 169.66 18.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 1.0 110.374 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.629 HD22 HG13 ' A' ' 82' ' ' ILE . 1.1 tt -134.02 116.37 15.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 1.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.9 m -99.04 109.31 22.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 1.0 110.006 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.979 ' HB ' HD11 ' A' ' 88' ' ' LEU . 0.2 OUTLIER -136.34 -172.7 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 1.0 109.276 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.487 ' O ' ' CD1' ' A' ' 88' ' ' LEU . 17.0 m -118.1 161.19 20.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 1.0 110.389 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -75.43 172.07 13.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 1.0 109.322 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 40.12 28.09 0.15 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.456 1.098 . . . . 1.0 111.019 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -114.45 -177.38 3.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 0.774 . . . . 1.0 110.309 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.39 82.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 1.0 109.349 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.979 HD11 ' HB ' ' A' ' 82' ' ' ILE . 0.2 OUTLIER -127.44 90.41 3.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 1.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -120.24 127.79 52.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 1.0 110.304 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.496 HG11 ' CE1' ' A' ' 93' ' ' TYR . 24.4 t -71.27 144.13 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 1.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.898 HD12 ' OE1' ' A' ' 103' ' ' GLN . 4.3 mt -117.67 -41.62 2.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 1.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -127.01 169.92 18.86 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.436 1.085 . . . . 1.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.601 ' CE2' ' SG ' ' A' ' 100' ' ' CYS . 9.7 m-85 -134.02 175.69 9.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 0.761 . . . . 1.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.614 ' OD1' ' CH2' ' A' ' 110' ' ' TRP . 5.5 m-20 -78.01 -87.96 0.05 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.573 1.171 . . . . 1.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.543 ' CD2' ' O ' ' A' ' 94' ' ' ASN . 0.6 OUTLIER 163.07 38.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 1.0 109.65 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 95' ' ' HIS . 5.1 t30 174.28 39.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 1.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 39.77 62.39 1.43 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.522 1.139 . . . . 1.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -119.37 -69.74 0.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.749 . . . . 1.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.566 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 15.9 m95 -127.71 164.2 22.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 1.0 108.031 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.601 ' SG ' ' CE2' ' A' ' 93' ' ' TYR . 18.8 m -136.33 130.27 32.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 1.0 108.255 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.571 ' HG3' ' CD1' ' A' ' 110' ' ' TRP . 26.9 tt0 -80.03 134.2 36.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 1.0 110.352 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -132.58 159.78 38.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 1.0 109.298 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.898 ' OE1' HD12 ' A' ' 91' ' ' LEU . 1.5 mt-30 -123.76 151.36 43.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 1.0 110.241 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.817 HG22 ' H ' ' A' ' 106' ' ' ASN . 1.1 m -104.6 145.16 30.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 1.0 110.44 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.461 ' HE2' HG23 ' A' ' 104' ' ' THR . 0.0 OUTLIER -39.9 -33.67 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 1.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.817 ' H ' HG22 ' A' ' 104' ' ' THR . 28.9 m-20 -142.97 57.3 1.41 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 1.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 167.64 179.25 40.26 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.443 1.089 . . . . 1.0 110.987 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -150.19 164.52 35.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 0.749 . . . . 1.0 110.327 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.406 ' O ' HD12 ' A' ' 80' ' ' LEU . . . 166.39 178.1 38.83 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.477 1.111 . . . . 1.0 111.049 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.614 ' CH2' ' OD1' ' A' ' 94' ' ' ASN . 4.4 m95 -106.45 161.77 14.29 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.956 -1.127 . . . . 1.0 107.956 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.614 HG23 ' HD2' ' A' ' 112' ' ' PRO . 3.1 p -159.75 140.95 9.27 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 1.0 109.282 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.614 ' HD2' HG23 ' A' ' 111' ' ' VAL . 18.4 Cg_endo -75.0 147.08 33.44 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 1.0 111.027 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.05 -11.17 60.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 1.0 109.991 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -69.72 -30.95 68.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 1.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -94.84 -1.12 53.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 1.0 110.976 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.546 HD11 ' CG1' ' A' ' 111' ' ' VAL . 11.6 mt -120.16 147.48 23.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 1.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.663 ' HB ' HD12 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -134.12 156.09 79.45 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.148 . . . . 1.0 110.422 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 171.04 19.09 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.515 1.798 . . . . 1.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.56 ' O ' HG12 ' A' ' 119' ' ' VAL . 35.4 t -98.91 3.92 10.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 1.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 24.7 p . . . . . 0 C--O 1.25 1.094 0 CA-C-O 117.013 -1.47 . . . . 1.0 109.984 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.699 ' C ' HD22 ' A' ' 65' ' ' LEU . 47.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.821 ' O ' HG23 ' A' ' 119' ' ' VAL . 2.8 mm? -118.13 179.87 3.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 109.349 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.555 ' CD1' ' HA ' ' A' ' 118' ' ' PRO . 7.4 m-30 -116.52 167.05 11.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 1.0 110.964 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.6 144.48 37.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 1.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.81 ' HB2' HD22 ' A' ' 88' ' ' LEU . . . -72.03 129.95 39.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 1.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.609 ' CD1' HG21 ' A' ' 117' ' ' THR . 0.8 OUTLIER -91.28 -64.13 1.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.122 . . . . 1.0 109.341 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -100.51 165.25 11.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 1.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -86.53 169.08 13.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 1.078 . . . . 1.0 109.283 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.465 ' CE1' HG23 ' A' ' 79' ' ' THR . 2.6 t80 -117.95 143.37 46.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 1.0 110.943 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.4 ' O ' ' N ' ' A' ' 75' ' ' SER . 11.4 p -116.2 149.98 18.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 1.0 109.254 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.57 90.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 1.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 73' ' ' VAL . 29.0 t -150.13 125.7 10.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 1.0 109.989 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.0 169.19 39.53 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.486 1.117 . . . . 1.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 78' ' ' ASN . 6.9 t70 -84.49 156.96 21.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 1.0 109.312 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 77' ' ' ASP . 4.4 t30 39.9 65.74 0.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 1.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.494 HG23 ' N ' ' A' ' 80' ' ' LEU . 0.3 OUTLIER -117.81 170.0 9.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 1.0 110.368 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.932 HD22 ' CD1' ' A' ' 82' ' ' ILE . 1.4 tt -137.12 124.67 22.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 1.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.9 m -94.96 115.12 27.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 1.0 109.984 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.932 ' CD1' HD22 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -124.42 174.5 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 1.0 109.296 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -114.75 149.97 36.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 1.0 110.374 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -60.9 179.19 0.19 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 1.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 84' ' ' LYS . . . 34.57 42.27 0.3 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 1.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -122.33 154.29 37.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 0.748 . . . . 1.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.05 92.61 0.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 1.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.818 HD12 HG21 ' A' ' 82' ' ' ILE . 9.9 tt -136.15 114.72 11.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 1.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.15 137.71 51.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 1.0 110.323 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.4 t -69.95 139.72 19.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 1.0 109.324 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -108.47 -38.61 5.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 1.0 109.242 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 101' ' ' GLU . . . -137.43 156.05 23.3 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.464 1.102 . . . . 1.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.46 ' HA ' ' HA ' ' A' ' 100' ' ' CYS . 0.1 OUTLIER -124.29 177.85 5.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 0.751 . . . . 1.0 111.018 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.654 ' ND2' ' CZ3' ' A' ' 110' ' ' TRP . 1.3 m-80 -72.43 177.97 4.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 1.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -86.06 -58.44 2.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 1.0 109.631 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -65.11 -55.89 16.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 1.0 109.283 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 127.06 64.37 0.15 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.522 1.139 . . . . 1.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -120.38 -51.76 2.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 0.764 . . . . 1.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.543 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 7.8 m95 -125.47 175.02 7.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.101 . . . . 1.0 108.033 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.541 ' O ' HG12 ' A' ' 111' ' ' VAL . 1.4 p -136.05 143.65 44.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 1.0 108.297 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 92' ' ' GLY . 22.3 tt0 -91.99 136.98 32.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 1.0 110.313 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -133.43 153.38 51.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 1.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.427 ' CB ' ' HG3' ' A' ' 108' ' ' GLN . 16.6 tt0 -122.1 140.15 52.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 1.0 110.342 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.877 HG21 HD12 ' A' ' 82' ' ' ILE . 48.7 p -124.08 167.32 14.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 1.0 110.405 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.41 -21.04 60.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 1.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -83.43 -20.25 34.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 1.0 109.346 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 104' ' ' THR . . . 162.06 -143.06 8.45 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 1.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.706 ' C ' HD12 ' A' ' 80' ' ' LEU . 0.9 OUTLIER -150.77 160.62 43.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 0.781 . . . . 1.0 110.29 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.516 ' N ' HD12 ' A' ' 80' ' ' LEU . . . 178.41 -172.81 45.26 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.503 1.127 . . . . 1.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.654 ' CZ3' ' ND2' ' A' ' 94' ' ' ASN . 25.9 m95 -89.68 165.44 14.21 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.998 -1.112 . . . . 1.0 107.998 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.541 HG12 ' O ' ' A' ' 100' ' ' CYS . 6.4 p -160.78 134.27 4.86 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 1.0 109.312 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.543 ' HD3' ' CZ3' ' A' ' 99' ' ' TRP . 18.4 Cg_endo -74.99 146.57 32.87 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.469 1.773 . . . . 1.0 111.055 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.444 ' O ' ' O ' ' A' ' 116' ' ' ILE . 5.8 t -71.38 -27.13 63.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 1.0 109.994 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -72.29 -4.13 27.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 1.0 109.291 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -111.81 -18.6 12.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 1.0 111.002 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.553 HG23 ' HA ' ' A' ' 68' ' ' ALA . 4.8 mm -125.77 141.78 44.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 1.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.609 HG21 ' CD1' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -126.04 158.32 66.49 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 1.0 110.373 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.555 ' HA ' ' CD1' ' A' ' 66' ' ' PHE . 18.2 Cg_endo -75.0 178.41 7.31 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.528 1.804 . . . . 1.0 111.055 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.821 HG23 ' O ' ' A' ' 65' ' ' LEU . 88.8 t -89.81 -110.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 1.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.661 ' N ' HG12 ' A' ' 119' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.094 0 CA-C-O 116.99 -1.481 . . . . 1.0 109.974 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.581 ' O ' ' CE1' ' A' ' 66' ' ' PHE . 47.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.81 ' O ' HG23 ' A' ' 119' ' ' VAL . 0.1 OUTLIER -96.82 115.41 27.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 109.309 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.581 ' CE1' ' O ' ' A' ' 64' ' ' SER . 0.7 OUTLIER -108.99 155.64 20.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 1.0 110.951 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.551 ' O ' HG23 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -120.21 158.26 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 1.0 109.332 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.877 ' HB2' HD22 ' A' ' 88' ' ' LEU . . . -69.85 128.47 36.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 1.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.585 HD22 HG21 ' A' ' 117' ' ' THR . 13.8 tp -111.37 -81.54 0.58 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 1.0 109.347 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.453 ' N ' ' HG ' ' A' ' 69' ' ' LEU . 12.0 m-85 -70.68 163.02 27.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 1.0 111.026 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.68 169.07 11.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 1.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.483 ' CD1' ' N ' ' A' ' 73' ' ' VAL . 15.0 t80 -125.75 167.2 15.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 1.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.483 ' N ' ' CD1' ' A' ' 72' ' ' PHE . 8.8 p -125.98 145.41 33.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 1.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.94 144.49 18.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 1.0 109.327 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.5 m -131.51 177.31 7.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 1.0 110.005 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -104.96 55.61 0.57 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.445 1.09 . . . . 1.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 79' ' ' THR . 0.7 OUTLIER 174.7 -172.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 0.769 . . . . 1.0 109.277 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -56.01 88.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 1.143 . . . . 1.0 109.331 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.492 HG23 ' N ' ' A' ' 80' ' ' LEU . 0.3 OUTLIER -132.77 170.37 15.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 1.0 110.432 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.835 HD21 ' OG1' ' A' ' 104' ' ' THR . 1.2 tt -134.81 116.7 15.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 1.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.3 m -98.01 110.6 23.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 1.0 109.991 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.523 ' H ' HD12 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -131.61 -174.88 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 1.0 109.319 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.7 m -125.66 157.84 36.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 1.0 110.428 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.515 ' O ' ' C ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -57.25 -179.78 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 1.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.515 ' C ' ' O ' ' A' ' 84' ' ' LYS . . . 27.99 54.2 0.11 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.495 1.122 . . . . 1.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.451 ' OE2' HG22 ' A' ' 82' ' ' ILE . 8.3 tt0 -121.23 162.0 20.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 0.782 . . . . 1.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.71 82.83 8.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 1.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.877 HD22 ' HB2' ' A' ' 68' ' ' ALA . 1.4 tt -144.71 123.07 12.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 1.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.508 ' HG2' HG12 ' A' ' 67' ' ' VAL . 31.2 mtm-85 -135.55 147.76 48.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 1.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.458 ' CG1' ' HB3' ' A' ' 100' ' ' CYS . 9.4 t -69.82 127.17 31.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 1.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.649 HD12 ' OE1' ' A' ' 103' ' ' GLN . 3.3 mt -105.91 -31.05 8.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 1.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -136.17 168.03 24.2 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 1.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.573 ' N ' ' CD1' ' A' ' 93' ' ' TYR . 0.1 OUTLIER -131.67 161.97 31.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 0.774 . . . . 1.0 111.033 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.471 ' O ' ' CB ' ' A' ' 95' ' ' HIS . 2.8 p30 -77.68 -18.13 56.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.153 . . . . 1.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.471 ' CB ' ' O ' ' A' ' 94' ' ' ASN . 0.5 OUTLIER 85.23 80.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 1.0 109.575 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 170.94 -48.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 1.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 111.61 38.36 1.46 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.54 1.15 . . . . 1.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -120.32 -62.35 1.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 0.781 . . . . 1.0 110.307 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.446 ' CE2' ' HB3' ' A' ' 112' ' ' PRO . 16.3 m95 -125.49 154.57 41.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 1.0 107.969 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.458 ' HB3' ' CG1' ' A' ' 90' ' ' VAL . 97.8 m -135.33 143.87 46.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 1.0 108.256 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -84.17 134.04 34.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 1.0 110.328 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -135.13 168.06 19.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 1.0 109.334 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.649 ' OE1' HD12 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -111.71 162.45 15.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 1.0 110.327 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.835 ' OG1' HD21 ' A' ' 80' ' ' LEU . 3.3 m -104.88 157.48 17.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 1.0 110.4 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 104' ' ' THR . 1.5 ttpt -39.75 -37.74 0.57 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 1.0 109.252 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -150.29 34.93 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 1.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.416 ' CA ' ' HB ' ' A' ' 104' ' ' THR . . . -159.9 -156.32 8.09 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.137 . . . . 1.0 110.985 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -151.28 176.5 11.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 0.774 . . . . 1.0 110.295 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.411 ' C ' HD12 ' A' ' 80' ' ' LEU . . . 155.36 -174.7 33.46 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.105 . . . . 1.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 21.7 m95 -97.97 167.17 11.07 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.005 -1.109 . . . . 1.0 108.005 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.432 HG13 ' O ' ' A' ' 111' ' ' VAL . 5.2 p -159.19 119.9 1.79 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 1.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.548 ' HG2' ' CD1' ' A' ' 115' ' ' TYR . 18.2 Cg_endo -75.01 145.15 31.05 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.527 1.804 . . . . 1.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 116' ' ' ILE . 30.4 t -69.74 -14.93 63.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 1.0 109.984 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -71.56 -22.39 61.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 1.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.548 ' CD1' ' HG2' ' A' ' 112' ' ' PRO . 29.6 m-85 -106.39 -2.36 22.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 1.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.551 HG23 ' O ' ' A' ' 67' ' ' VAL . 7.3 mm -124.81 142.2 42.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 1.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.585 HG21 HD22 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -123.66 159.44 55.62 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 1.0 110.36 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.441 ' HA ' ' HA ' ' A' ' 66' ' ' PHE . 18.1 Cg_endo -75.01 170.72 19.8 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.446 1.761 . . . . 1.0 111.014 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 65' ' ' LEU . 93.0 t -83.33 4.66 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 1.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.1 p . . . . . 0 C--O 1.251 1.135 0 CA-C-O 116.987 -1.482 . . . . 1.0 109.99 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.595 ' O ' HG23 ' A' ' 119' ' ' VAL . 4.3 mm? -72.86 -179.15 3.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.567 ' CD1' ' HB ' ' A' ' 90' ' ' VAL . 0.9 OUTLIER -113.08 156.97 22.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 1.0 110.962 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.459 HG22 HG22 ' A' ' 119' ' ' VAL . 0.0 OUTLIER -121.47 141.37 42.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 1.0 109.295 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 1.003 ' HB2' HD22 ' A' ' 88' ' ' LEU . . . -70.58 139.9 51.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 1.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.483 ' HG ' HG21 ' A' ' 117' ' ' THR . 1.7 mt -107.77 -74.32 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 1.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -94.24 166.28 12.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 1.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.1 p-10 -91.73 173.88 7.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 1.0 109.262 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.405 ' HE1' ' HB2' ' A' ' 74' ' ' ALA . 10.3 t80 -138.41 139.84 39.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 1.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.8 p -125.33 101.07 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 1.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.472 ' CB ' HG22 ' A' ' 79' ' ' THR . . . -75.38 -174.85 2.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 1.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 90.4 p -144.98 62.77 1.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 1.0 110.003 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 54.37 90.1 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.505 1.128 . . . . 1.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -168.46 -179.07 3.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 1.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -63.88 -13.08 42.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 1.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.472 HG22 ' CB ' ' A' ' 74' ' ' ALA . 0.6 OUTLIER -69.82 165.64 21.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 1.0 110.423 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.54 HD12 ' C ' ' A' ' 108' ' ' GLN . 3.7 tt -135.82 117.64 15.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 1.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.488 ' O ' ' CD2' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -73.66 178.84 4.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 1.0 109.959 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 1.059 HD13 ' CD1' ' A' ' 88' ' ' LEU . 0.1 OUTLIER -152.05 162.34 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 1.0 109.34 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.3 m -104.83 152.09 23.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 1.0 110.393 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.472 ' O ' ' C ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -66.33 174.72 2.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 1.0 109.289 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.472 ' C ' ' O ' ' A' ' 84' ' ' LYS . . . 32.07 41.24 0.09 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.513 1.133 . . . . 1.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 84' ' ' LYS . 11.0 tp10 -111.07 151.34 28.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 1.0 110.254 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.44 86.42 6.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 1.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 1.059 ' CD1' HD13 ' A' ' 82' ' ' ILE . 0.4 OUTLIER -121.19 127.81 51.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 1.0 109.27 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 10.6 mtp85 -135.44 137.35 42.14 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.462 1.101 . . . . 1.0 110.307 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.567 ' HB ' ' CD1' ' A' ' 66' ' ' PHE . 98.4 t -78.2 111.53 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 1.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.1 mt -113.23 -7.94 13.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 1.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -123.2 154.21 17.18 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.504 1.128 . . . . 1.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -143.69 146.82 33.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 0.783 . . . . 1.0 110.977 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.448 ' OD1' ' N ' ' A' ' 96' ' ' ASN . 6.1 p30 -69.91 -161.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.084 . . . . 1.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -120.34 66.7 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 1.0 109.597 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.448 ' N ' ' OD1' ' A' ' 94' ' ' ASN . 8.1 t30 172.17 -63.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 1.0 109.33 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 132.04 45.28 0.14 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.523 1.139 . . . . 1.0 110.958 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -109.96 -48.62 3.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 0.76 . . . . 1.0 110.262 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.544 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 10.1 m95 -136.32 166.58 23.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 1.0 108.018 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.487 ' O ' HG12 ' A' ' 111' ' ' VAL . 33.8 m -136.36 142.98 43.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 1.0 108.273 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -85.19 136.12 33.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 1.0 110.297 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.564 ' CB ' HG11 ' A' ' 111' ' ' VAL . . . -135.2 169.95 16.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 1.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -106.68 150.68 26.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 1.0 110.329 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 105' ' ' LYS . 1.7 m -114.17 162.92 15.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 1.0 110.428 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 104' ' ' THR . 8.4 mtmt -37.32 -58.29 0.84 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 1.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -137.11 49.34 2.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 1.0 109.347 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -174.12 176.54 46.54 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.55 1.156 . . . . 1.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.54 ' C ' HD12 ' A' ' 80' ' ' LEU . 3.5 tt0 -153.28 136.54 15.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 0.73 . . . . 1.0 110.296 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -165.94 -161.01 14.02 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.557 1.161 . . . . 1.0 111.018 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 39.3 m95 -83.37 160.24 21.67 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.984 -1.117 . . . . 1.0 107.984 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.741 HG23 HD11 ' A' ' 82' ' ' ILE . 3.6 p -160.06 126.25 2.42 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 1.0 109.352 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.544 ' HD3' ' CZ3' ' A' ' 99' ' ' TRP . 18.3 Cg_endo -74.91 140.47 25.75 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.475 1.777 . . . . 1.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.424 ' O ' ' O ' ' A' ' 116' ' ' ILE . 43.2 t -74.88 -8.36 56.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 1.0 110.002 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -70.43 -27.68 64.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 1.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -98.49 -5.25 32.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 1.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.674 HD11 ' CG2' ' A' ' 111' ' ' VAL . 13.3 mt -121.97 163.64 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 1.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.483 HG21 ' HG ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -141.96 154.78 65.58 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.429 1.081 . . . . 1.0 110.398 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.403 ' HA ' ' HA ' ' A' ' 66' ' ' PHE . 18.4 Cg_endo -74.95 177.96 7.87 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.445 1.761 . . . . 1.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 65' ' ' LEU . 74.9 t -105.32 4.46 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 1.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 42.6 m . . . . . 0 C--O 1.249 1.062 0 CA-C-O 117.06 -1.448 . . . . 1.0 109.966 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.996 -0.372 . . . . 1.0 109.996 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' A' ' 65' ' ' LEU . 4.0 mm? -102.28 178.11 4.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 1.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.486 ' CD1' ' N ' ' A' ' 66' ' ' PHE . 0.1 OUTLIER -121.64 152.86 38.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 1.0 111.004 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -121.36 153.03 25.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 1.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 1.061 ' HB2' HD23 ' A' ' 88' ' ' LEU . . . -74.77 98.05 3.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 1.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.458 ' HB2' ' CG2' ' A' ' 117' ' ' THR . 0.1 OUTLIER -84.94 -41.0 16.33 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 1.0 109.265 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -97.49 163.08 13.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 1.0 110.985 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.76 154.48 17.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 1.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.969 ' CE1' ' HB3' ' A' ' 74' ' ' ALA . 8.5 t80 -126.85 122.01 33.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 1.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.543 ' O ' HG12 ' A' ' 73' ' ' VAL . 47.9 t -134.56 44.06 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 1.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.969 ' HB3' ' CE1' ' A' ' 72' ' ' PHE . . . -75.2 174.27 9.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 1.0 109.297 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 59.5 p -148.61 121.5 8.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 1.0 109.959 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 172.41 -147.72 10.13 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.512 1.132 . . . . 1.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 78' ' ' ASN . 3.3 m-20 -105.35 152.94 22.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 0.752 . . . . 1.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 77' ' ' ASP . 7.3 m120 39.97 69.52 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 1.0 109.31 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.482 HG23 ' N ' ' A' ' 80' ' ' LEU . 0.5 OUTLIER -127.4 170.0 13.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 1.0 110.401 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.9 HD21 HG21 ' A' ' 104' ' ' THR . 1.4 tt -134.9 116.67 15.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 1.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.0 m -106.88 112.49 25.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 1.0 110.008 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.472 HG12 HD13 ' A' ' 88' ' ' LEU . 0.2 OUTLIER -128.25 -178.42 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 1.0 109.284 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.5 m -121.84 159.26 27.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 1.0 110.397 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.484 ' O ' ' C ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -62.21 -176.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 1.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.484 ' C ' ' O ' ' A' ' 84' ' ' LYS . . . 30.56 43.97 0.08 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.484 1.115 . . . . 1.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -118.8 156.75 28.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 0.739 . . . . 1.0 110.285 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.52 84.2 7.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 1.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 1.061 HD23 ' HB2' ' A' ' 68' ' ' ALA . 0.1 OUTLIER -141.36 122.25 14.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 1.0 109.308 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.462 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -132.85 153.25 51.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 1.0 110.342 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 77.3 t -69.93 135.28 28.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 1.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.531 HD13 ' CD ' ' A' ' 103' ' ' GLN . 0.4 OUTLIER -104.37 -43.14 5.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 1.0 109.263 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -146.6 163.13 28.53 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.509 1.13 . . . . 1.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -121.29 155.74 34.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.767 . . . . 1.0 111.03 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 95' ' ' HIS . 0.4 OUTLIER -72.66 175.96 5.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 1.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.472 ' O ' ' CB ' ' A' ' 96' ' ' ASN . 36.0 t-80 -73.27 58.17 0.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 1.0 109.603 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 95' ' ' HIS . 0.9 OUTLIER 157.88 177.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.128 . . . . 1.0 109.321 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -99.77 63.75 0.66 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.468 1.105 . . . . 1.0 110.969 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -120.72 -63.43 1.35 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 0.759 . . . . 1.0 110.28 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.468 ' CZ3' ' HD3' ' A' ' 112' ' ' PRO . 14.6 m95 -135.24 159.92 40.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 1.0 107.98 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.418 ' O ' HG12 ' A' ' 111' ' ' VAL . 14.3 m -136.11 142.11 44.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 1.0 108.293 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -79.1 132.69 36.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 1.0 110.307 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.511 ' CB ' HG11 ' A' ' 111' ' ' VAL . . . -132.25 163.88 27.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 1.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.531 ' CD ' HD13 ' A' ' 91' ' ' LEU . 34.3 mt-30 -126.2 161.78 26.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 1.0 110.252 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.9 HG21 HD21 ' A' ' 80' ' ' LEU . 4.5 p -134.76 166.82 22.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 1.0 110.427 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.469 ' C ' ' O ' ' A' ' 104' ' ' THR . 4.4 tptt -35.65 -60.37 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 1.0 109.342 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -136.9 56.77 1.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 1.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.489 ' O ' ' N ' ' A' ' 104' ' ' THR . . . -176.29 148.64 9.28 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.492 1.12 . . . . 1.0 111.053 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.476 ' HG3' ' CG ' ' A' ' 103' ' ' GLN . 44.5 tt0 -150.75 151.35 32.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 0.74 . . . . 1.0 110.329 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.505 ' H ' HD12 ' A' ' 80' ' ' LEU . . . 172.51 -160.21 31.33 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.501 1.126 . . . . 1.0 111.016 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 29.1 m95 -84.15 146.08 28.05 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.0 -1.111 . . . . 1.0 108.0 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.593 ' CG2' HD11 ' A' ' 116' ' ' ILE . 1.2 p -148.21 124.96 5.47 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 1.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.556 ' HG2' ' CD1' ' A' ' 115' ' ' TYR . 18.3 Cg_endo -75.02 144.61 30.37 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.465 1.771 . . . . 1.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.439 ' O ' ' O ' ' A' ' 116' ' ' ILE . 0.1 OUTLIER -75.0 -14.27 60.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 1.0 109.993 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -74.08 -14.99 61.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 1.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.556 ' CD1' ' HG2' ' A' ' 112' ' ' PRO . 13.7 m-85 -104.05 -10.79 17.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 1.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.593 HD11 ' CG2' ' A' ' 111' ' ' VAL . 13.1 mt -124.04 143.29 37.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 1.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.458 ' CG2' ' HB2' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -131.86 158.66 74.84 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 1.0 110.409 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.441 ' HA ' ' HA ' ' A' ' 66' ' ' PHE . 18.5 Cg_endo -74.98 168.19 25.39 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.51 1.795 . . . . 1.0 111.038 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.656 HG12 ' N ' ' A' ' 120' ' ' SER . 87.6 t -76.66 -110.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 1.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.656 ' N ' HG12 ' A' ' 119' ' ' VAL . 26.2 m . . . . . 0 C--O 1.251 1.136 0 CA-C-O 116.934 -1.508 . . . . 1.0 109.99 -180.0 . . . . . . . . 1 1 . 1 stop_ save_